| Symmetry used in scalepack | p2 |
|---|---|
| a (Angstrom) | 9.4360 +/- 0.0006 |
| b (Angstrom) | 16.0009 +/- 0.0008 |
| c (Angstrom) | 20.7248 +/- 0.0011 |
| alpha (°) | 90.000 |
| beta (°) | 98.967 +/- 0.002 |
| gamma (°) | 90.000 |
| Volume (A**3) | 3090.9 +/- 0.3 |
| Mosaicity (°) | 1.460 +/- 0.002 |
| Total number of images collected | 584 |
|---|---|
| Total exposure time | 28.1 hours |
| Data collection exposure time | 27.9 hours |
| Data collection wall-clock time | 29.0 hours |
| Wavelength | 0.71073 A |
|---|---|
| Cryostat setting | 123.00K |
| Generator setting | 55kV 32mA |
| Type | Name | # images | Total Rotation | Per frame Rotation | Exposure per frame | Detector distance | Used in scaling |
|---|---|---|---|---|---|---|---|
| cell determination | i01f | 10 | 10.0° omega | 1.000° | 60 seconds | 40.00 mm | No |
| data collection | s01f | 395 | 276.5° phi | 0.700° | 175 seconds | 39.80 mm | Yes |
| data collection | s02f | 179 | 125.3° omega | 0.700° | 175 seconds | 39.80 mm | Yes |
| Rejected | 156 |
|---|---|
| Zero sigma or profile test | 19 |
| Overload or incomplete profile | 1684 |
| Sigma cutoff | 71 |
| High resolution limit | 146 |
| Scale factor range | 9.91-12.65 |
|---|---|
| Number of 'full' reflections | 0 |
| Number of 'partial' reflections | 29629 |
| Total number of integrated reflections | 27643 |
| Total number of unique reflections | 6309 |
| Data completeness | 99.8% |
| Resolution range | 20.36-0.81 A |
| Theta range | 1.00°-26.02° |
| Average Intensity | 29.1 |
| Average Sigma(I) | 2.6 |
| Overall R-merge (linear) | 0.087 |