| 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 |