Table 1. Crystal parameters and data-collection statistics.
Values in parentheses are for the outermost resolution shell.
| Itk SH2 V275M, SeMet | ||||
|---|---|---|---|---|
| Itk SH2 WT, native | Peak | Inflection | Remote | |
| No. of crystals | 1 | 1 | ||
| Beamline | 4.2.2, Advanced Light Source, Lawrence Berkeley Laboratory | |||
| Wavelength (Å) | 1.2398 | 0.9790 | 0.9793 | 0.9640 |
| Detector | ‘NOIR-1’ MBC system | |||
| Crystal-to-detector distance (mm) | 140 | 180 | ||
| Rotation range per image (°) | 1 | |||
| Total rotation range (°) | 180 | |||
| Exposure time per image (s) | 12 | |||
| Resolution (Å) | 47.22–2.35 (2.43–2.35) | 43.39–2.50 (2.59–2.50) | 43.39–2.60 (2.69–2.60) | 43.40–2.60 (2.69–2.60) |
| Space group | I222 | C2221 | ||
| Unit-cell parameters (Å) | a = 53.6, b = 57.3, c = 83.1 | a = 53.9, b = 73.2, c = 57.1 | ||
| Mosaicity (°) | 2.00 | 0.94 | 0.92 | 0.93 |
| Total reflections | 29274 | 28895 | 25774 | 25847 |
| Unique reflections | 5487 | 4137 | 3687 | 3687 |
| Average multiplicity | 5.34 (4.42) | 6.98 (7.26) | 6.99 (7.18) | 7.01 (7.10) |
| Average I/σ(I) | 10.3 (4.1) | 9.6 (2.5) | 11.2 (3.6) | 10.9 (3.8) |
| Unaveraged I/σ(I) | 4.4 (1.9) | 3.9 (1.1) | 4.5 (1.6) | 4.3 (1.6) |
| Completeness (%) | 97.8 (93.1) | 100 (100) | 100 (100) | 100 (100) |
| Rmerge† (%) | 9.4 (34.7) | 9.3 (50.4) | 8.2 (38.4) | 8.2 (38.0) |
| Overall B factor from Wilson plot (Å2) | 51.80 | 63.00 | ||
†
R
merge = 
, where Ii(hkl) is the scaled intensity of the ith observation of reflection hkl and I(hkl) is the mean intensity for this set of observations.