| Symmetry used in scalepack | p222 |
|---|---|
| a (Angstrom) | 7.5556 +/- 0.0003 |
| b (Angstrom) | 8.0446 +/- 0.0003 |
| c (Angstrom) | 22.9549 +/- 0.0008 |
| alpha (°) | 90.000 |
| beta (°) | 90.000 |
| gamma (°) | 90.000 |
| Volume (A**3) | 1395.24 +/- 0.09 |
| Mosaicity (°) | 0.413 +/- 0.003 |
| Total number of images collected | 74 |
|---|---|
| Total exposure time | 18.1 minutes |
| Data collection exposure time | 16.7 minutes |
| Data collection wall-clock time | 23.9 minutes |
| Wavelength | 0.71073 A |
|---|---|
| Generator setting | 50kV 90mA |
| Crystal to detector distance | 30.00 mm |
| Type | Name | # images | Total Rotation | Per frame Rotation | Exposure per frame | Used in scaling |
|---|---|---|---|---|---|---|
| data collection | s01f | 66 | 99.0° omega | 1.500° | 15 seconds | Yes |
| Phi/Chi | i01f - i08f | 8 | 10 seconds |
| Overload or incomplete profile | 68 |
|---|---|
| Sigma cutoff | 1 |
| Scale factor | 10.00 |
|---|---|
| Number of 'full' reflections | 2923 |
| Number of 'partial' reflections | 4310 |
| Total number of integrated reflections | 4813 |
| Total number of unique reflections | 1576 |
| Data completeness | 96.7% |
| Resolution range | 7.00-0.81 A |
| Theta range | 2.91°-26.02° |
| Average Intensity | 71.8 |
| Average Sigma(I) | 3.4 |
| Overall R-merge (linear) | 0.097 |
| Collection Temperature | 150 K |
| Crystal Size | x x |
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