Table 3. Data-collection and processing statistics for the NTPR–BD1 complex.
Values in parentheses are for the highest resolution shell.
| Selenomethionine MAD data set | ||||
|---|---|---|---|---|
| Peak | Inflection | Remote | Native | |
| Space group | P6122 | P6122 | ||
| No. of crystals | 1 | 1 | ||
| Diffraction source | X06SA, SLS | |||
| Unit-cell parameters | ||||
| a, b, c (Å) | 47.67, 47.67, 430.70 | 47.28, 47.28, 431.58 | ||
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | ||
| Wavelength (Å) | 0.9785 | 0.9787 | 0.9709 | 1.000 |
| f′, f′′ (e) | −6.5, 4.1 | −7.0, 3.8 | −3.9, 3.8 | |
| Temperature (K) | 100 | 100 | 100 | 100 |
| Detector | Pilatus 6M, Dectris | |||
| Resolution range (Å) | 50–2.5 | 50–2.5 | 50–2.5 | 50–2.2 |
| R merge † (%) | 6.1 (22.6) | 5.9 (26.4) | 6.4 (37.6) | 11.2 (68.1) |
| Crystal-to-detector distance (mm) | 400 | |||
| Exposure time per image (s) | 0.1 | |||
| Rotation range per image (°) | 0.1 | |||
| Total rotation range (°) | 360 | |||
| Total No. of reflections | 186553 | 185896 | 182993 | 473961 |
| No. of unique reflections | 11290 | 11288 | 11357 | 15824 |
| CC1/2 ‡ | 0.99 | 0.99 | 1.0 | 0.99 |
| 〈I/σ(I)〉 | 29.9 (11) | 30.4 (10) | 27.8 (7.1) | 16.8 (3.4) |
| Data completeness (%) | 99.8 (98.4) | 99.9 (99.3) | 99.8 (98.7) | 99.1 (94.3) |
| Multiplicity | 16.6 (17.5) | 16.5 (17.0) | 16.1 (15.3) | 30 (16.3) |
| Mosaicity (°) | 0.16 | 0.17 | 0.18 | 0.15 |