| Symmetry used in scalepack | p1 |
|---|---|
| a (Angstrom) | 9.3023 +/- 0.0005 |
| b (Angstrom) | 9.7986 +/- 0.0006 |
| c (Angstrom) | 10.0971 +/- 0.0006 |
| alpha (°) | 110.7184 +/- 0.0018 |
| beta (°) | 109.620 +/- 0.002 |
| gamma (°) | 102.962 +/- 0.002 |
| Volume (A**3) | 746.84 +/- 0.08 |
| Mosaicity (°) | 1.238 +/- 0.004 |
| Total number of images collected | 270 |
|---|---|
| Total exposure time | 221.9 minutes |
| Data collection exposure time | 219.3 minutes |
| Data collection wall-clock time | 243.0 minutes |
| Wavelength | 0.71073 A |
|---|---|
| Crystal to detector distance | 31.00 mm |
| Type | Name | # images | Total Rotation | Per frame Rotation | Exposure per frame | Used in scaling |
|---|---|---|---|---|---|---|
| data collection | s01f | 181 | 362.0° phi | 2.000° | 50 seconds | Yes |
| data collection | s02f | 17 | 34.0° omega | 2.000° | 50 seconds | Yes |
| data collection | s03f | 16 | 32.0° omega | 2.000° | 50 seconds | Yes |
| data collection | s04f | 24 | 48.0° omega | 2.000° | 50 seconds | Yes |
| data collection | s05f | 24 | 48.0° omega | 2.000° | 50 seconds | Yes |
| Phi/Chi | i01f - i08f | 8 | 20 seconds |
| Zero sigma or profile test | 5 |
|---|---|
| Overload or incomplete profile | 420 |
| Sigma cutoff | 47 |
| High resolution limit | 101 |
| Scale factor | 10.00 |
|---|---|
| Number of 'full' reflections | 1631 |
| Number of 'partial' reflections | 25186 |
| Total number of integrated reflections | 12429 |
| Total number of unique reflections | 3353 |
| Data completeness | 99.2% |
| Resolution range | 7.00-0.77 A |
| Theta range | 2.91°-27.48° |
| Average Intensity | 35.4 |
| Average Sigma(I) | 2.1 |
| Overall R-merge (linear) | 0.062 |
| Collection Temperature | 120 K |
| Crystal Size | x x |
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