Table 1 Data collection and refinement statistics
RidL2–281 (PDB: 5OH5) | RidL10–258-Δβ-hairpin (PDB: 5OH6) | RidL2–281-Se-Met | |
|---|---|---|---|
Data collection | |||
Wavelength | 1.00000 | 0.99999 | 0.97852 (peak) |
Space group | I422 (97) | P21 (4) | I422 (97) |
Cell dimensions | |||
a, b, c (Å) | 110.14 | 40.10 | 111.24 |
110.14 | 58.05 | 111.24 | |
98.51 | 94.42 | 98.39 | |
α, β, γ (°) | 90.00 | 90.00 | 90.00 |
90.00 | 98.28 | 90.00 | |
90.00 | 90.00 | 90.00 | |
Resolution range (Å) | 100–1.9 | 50–2.05 | 100–2.60 |
(1.95–1.90) | (2.10–2.05) | (2.67–2.60) | |
No. of reflections | 312069 | 183673 | 486483 |
Unique reflections | 24155 | 26742 | 18174 |
R meas (%)a | 5.5 (195.4) | 6.3 (84.8) | 23.3 (262.7) |
I/σ I | 29.54 (1.48) | 15.68 (2.32) | 11.98 (1.63) |
CC1/2 (%) | 100.0 (65.5) | 99.9 (88.8) | 99.9 (14.1) |
Completeness (%) | 100.0 (99.9) | 98.5 (98.6) | 100.0 (100.0) |
Redundancy | 12.9 | 6.9 | 26.8 |
Refinement | |||
Resolution (Å) | 50–1.9 | 50–2.05 | |
No. reflections (work/test) | 24146/1206 | 26681/1331 | |
R work/ R free (%) | 20.4/21.36 | 20.17/24.22 | |
No. atoms | |||
Protein | 2146 | 3696 | |
Water | 187 | 125 | |
B-factor (Å2) | |||
Total | 52.5 | 59.2 | |
R.m.s deviations | |||
Bond lengths (Å) | 0.006 | 0.003 | |
Bond angles (°) | 0.84 | 0.57 | |
Ramachandran | |||
favoured (%) | 97 | 96 | |
Allowed (%) | 3 | 4 | |
Outliers (%) | 0 | 0 | |
