| Symmetry used in scalepack | p1 |
|---|---|
| a (Angstrom) | 11.5255 +/- 0.0009 |
| b (Angstrom) | 15.1738 +/- 0.0012 |
| c (Angstrom) | 17.7948 +/- 0.0012 |
| alpha (°) | 93.900 +/- 0.005 |
| beta (°) | 98.116 +/- 0.005 |
| gamma (°) | 95.012 +/- 0.004 |
| Volume (A**3) | 3058.9 +/- 0.4 |
| Mosaicity (°) | 1.750 +/- 0.002 |
| Total number of images collected | 1218 |
|---|---|
| Total exposure time | 16.3 hours |
| Data collection exposure time | 16.2 hours |
| Data collection wall-clock time | 18.1 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° | 40 seconds | 40.00 mm | No |
| data collection | s01f | 605 | 363.0° phi | 0.600° | 48 seconds | 39.80 mm | Yes |
| data collection | s02f | 64 | 38.4° omega | 0.600° | 48 seconds | 39.80 mm | Yes |
| data collection | s03f | 64 | 38.4° omega | 0.600° | 48 seconds | 39.80 mm | Yes |
| data collection | s04f | 97 | 58.2° omega | 0.600° | 48 seconds | 39.80 mm | Yes |
| data collection | s05f | 97 | 58.2° omega | 0.600° | 48 seconds | 39.80 mm | Yes |
| data collection | s06f | 134 | 80.4° omega | 0.600° | 48 seconds | 39.80 mm | Yes |
| data collection | s07f | 147 | 88.2° omega | 0.600° | 48 seconds | 39.80 mm | Yes |
| Rejected | 235 |
|---|---|
| Zero sigma or profile test | 120 |
| Overload or incomplete profile | 2774 |
| Sigma cutoff | 121 |
| High resolution limit | 5 |
| Scale factor range | 8.97-18.29 |
|---|---|
| Number of 'full' reflections | 0 |
| Number of 'partial' reflections | 42332 |
| Total number of integrated reflections | 32623 |
| Total number of unique reflections | 10544 |
| Data completeness | 96.2% |
| Resolution range | 49.66-0.84 A |
| Theta range | 0.41°-25.03° |
| Average Intensity | 10.3 |
| Average Sigma(I) | 2.1 |
| Overall R-merge (linear) | 0.163 |