Symmetry used in scalepack | p2 |
---|---|
a (Angstrom) | 12.6994 +/- 0.0005 |
b (Angstrom) | 17.2400 +/- 0.0007 |
c (Angstrom) | 14.8768 +/- 0.0005 |
alpha (°) | 90.000 |
beta (°) | 108.853 +/- 0.002 |
gamma (°) | 90.000 |
Volume (A**3) | 3082.3 +/- 0.2 |
Mosaicity (°) | 0.976 +/- 0.002 |
Total number of images collected | 267 |
---|---|
Total exposure time | 211.5 minutes |
Data collection exposure time | 206.5 minutes |
Data collection wall-clock time | 232.6 minutes |
Wavelength | 0.71073 A |
---|---|
Cryostat setting | 123.00K |
Generator setting | 55kV 32mA |
Crystal to detector distance | 40.00 mm |
Type | Name | # images | Total Rotation | Per frame Rotation | Exposure per frame | Used in scaling |
---|---|---|---|---|---|---|
cell determination | i01f | 10 | 10.0° omega | 1.000° | 30 seconds | No |
data collection | s01f | 180 | 288.0° phi | 1.600° | 48 seconds | Yes |
data collection | s02f | 77 | 123.2° omega | 1.600° | 48 seconds | Yes |
Rejected | 89 |
---|---|
Zero sigma or profile test | 1 |
Overload or incomplete profile | 2114 |
Sigma cutoff | 47 |
High resolution limit | 110 |
Scale factor range | 10.00-13.34 |
---|---|
Number of 'full' reflections | 7678 |
Number of 'partial' reflections | 23849 |
Total number of integrated reflections | 29534 |
Total number of unique reflections | 7002 |
Data completeness | 99.9% |
Resolution range | 20.36-0.78 A |
Theta range | 1.00°-27.10° |
Average Intensity | 35.4 |
Average Sigma(I) | 2.3 |
Overall R-merge (linear) | 0.080 |