Table 1. Crystal parameters, data-collection and processing statistics for the apo form and the Tyr167Phe mutant of 17β-HSDcl.
Values in parentheses are for the highest resolution shell.
| Native protein | Tyr167Phe mutant | |
|---|---|---|
| X-ray source | XRD1, ELETTRA (Trieste, Italy) | |
| Wavelength (Å) | 1.00 | 1.20 |
| Detector | MAR 345 | MAR CCD165 |
| Crystal dimensions (µm) | 300 × 200 × 200 | 100 × 80 × 80 |
| Space group | I4122 | I4122 |
| Unit-cell parameters | ||
| a (Å) | 67.14 | 67.79 |
| b (Å) | 67.14 | 67.79 |
| c (Å) | 266.75 | 268.24 |
| Z | 16 | 16 |
| VM (Å3 Da−1) | 2.6 | 2.7 |
| Solvent (%) | 52.3 | 53.5 |
| Mosaicity (°) | 0.39 | 0.49 |
| Resolution range (Å) | 30.0–1.7 (1.73–1.70) | 30.0–2.50 (2.59–2.50) |
| No. of observed reflections, I ≥ 0 | 257988 | 132994 |
| No. of unique reflections, I ≥ 0 | 34324 | 11039 |
| Completeness (%) | 99.6 (99.8) | 99.1 (100) |
| Redundancy | 7.5 (6.4) | 12.0 (7.3) |
| 〈I/σ(I)〉 of measured data | 11.3 (3.8) | 17.1 (3.7) |
| Rsym† (%) | 8.8 (51.4) | 10.8 (41.1) |
†
R
sym(I) = 
, where 〈I
hkl〉 is the mean intensity of the multiple I
hkl,i observations from symmetry-related reflections.