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MM002plus/007HF comparison #33120: middle resolution range case:

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Presentation on theme: "MM002plus/007HF comparison #33120: middle resolution range case:"— Presentation transcript:

1 MM002plus/007HF comparison #33120: middle resolution range case:
MM002plus: 0.75, 5min!, 3.3Å HF: 0.75deg, 5sec!!, 3.2Å

2 MM002plus Resolving power on large unit cell
35658 0.75deg, 150mm indexable in R3 5min exp. 2.25Å

3 Low resolution case: #32789 exposure, quality 5.5Å with MM002 and 20min, quality 5 MM002plus: 5min, 0.75deg, 3.3Å min,0.75deg, 2.97Å

4 Data collection with 007HF: #32789: 5.5Å with the old MM002
60sec exposure per 0.5o oscillation, 61 images short data set with: Summary of data collection statistics Spacegroup R3 Unit cell dimensions Mosaicity Resolution range ( ) Total number of reflections Number of unique reflections Average redundancy (1.27) % completeness (67.2) Rmerge (0.348) Reduced ChiSquared (1.17) Output <I/sigI> (1.6) 5min exposure, 3.3Å spots 20min exposure, 2.97Å spots

5 Summary of resolution limits on data with MM002plus and 007HF source:
XtalID MM002+ MM HF 007HF oldMM002 1_5data 5min 20min 5sec 60sec (20min!) 33120* 3.09 Å 2.75 Å 3.3 Å 2.83 Å 4.4 Å 31470*†/‡ 1.49 Å Å 32513* 4.18 Å 3.58 Å 4.6 Å 3.47 Å 5.0 Å 32789‡ 3.3 Å 3.00 Å 5.5 Å 2.8 Å 5.5 Å 33176‡ 2.25 Å 2.02 Å 3.25 Å 2.98 Å 4.1 Å 35658* 2.1 Å Å 10min 35660* 3.5 Å 3.25 Å Å 26760‡/† 2.6 Å Å 2.57 Å Å (only007HFtests): S26291* Å 1.5 Å Å S26759* Å 2.91 Å Å * ice on sample, possible damage and less reliable resolution interpretation because of ice rings and spots! † data collection on MM002plus ‡ data collection on 007HF source †/‡ data collection first on MM002plus, then on 007HF ‡/† data collection first on 007HF then on MM002plus

6 26760* data 007HF/MM002plus 007HF: 5min, 156 images
CCD Saturn 944 detector First data set: MM002plus:5min, 200 images IP RAXIS IV detector Second data set: Spacegroup I23 Unit cell dimensions Mosaicity Resolution range ( ) Total number of reflections Number of unique reflections Average redundancy (12.06) % completeness (100.0) Rmerge (0.498) Reduced ChiSquared (1.35) Output <I/sigI> (3.6) Average Counts (46) Spacegroup I23 Unit cell dimensions Mosaicity Resolution range ( ) Total number of reflections Number of unique reflections Average redundancy (8.80) % completeness (100.0) Rmerge (0.359) Reduced ChiSquared (1.14) Output <I/sigI> (4.4) Average Counts (1249) *Crystal was manually transferred after data collection on HF source, to MM002plus unit.

7 31470* data MM02plus/007HF MM002plus:5min, 160 images
IP RAXIS IV detector Second data set: 007HF: 5sec, 360 images CCD Saturn 944 detector Second data set: Spacegroup P212121 Unit cell dimensions Mosaicity Resolution range ( ) Total number of reflections Number of unique reflections Average redundancy (1.37) % completeness (42.3) Rmerge (0.321) Reduced ChiSquared (1.16) Output <I/sigI> (1.7) Average Counts (82) Spacegroup P222 Unit cell dimensions Mosaicity Resolution range ( ) Total number of reflections Number of unique reflections Average redundancy (1.91) % completeness (79.4) Rmerge (0.173) Reduced ChiSquared (0.27) Output <I/sigI> (1.9) Average Counts (3714) *Crystal was manually transferred after data collection on MM002plus source, to 007HF rotating anode source.

8 Cost of MM-002+ / MM-007 HF Price w/discount $138,000 $253,000
Service Contract (est) $19, $15,000 Filiments N/A $1350-$ $1030/3 need 4-5/yr Anode Rebuild N/A $ (1/yr included in service contract price) 4 yr cost of ownership $196,500 $301,000 w/ service contract (Est)

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