Table 1:
Data collection: | |
Wavelength (Å) | 1.10208 |
Space group | P21 |
Unit cell dimensions | |
a, b, c (Å) | 87.14, 62.90,113.06 |
α, β, γ (°) | 90, 97.10, 90 |
Resolution (Å) | 50.01 - 2.85 (2.95 - 2.84) |
Observed reflections | 95,955 |
Unique reflections | 28,540 (2555) |
Rmerge (%) | 9.1 (52.0) |
Mean I /σ(I) | 15.2 (2.2) |
CC1/2 | (0.715) |
Completeness (%) | 98.4 (89.1) |
Redundancy | 3.4 (2.4) |
Refinement: | |
Resolution (Å) | 50.01 - 2.84 |
Reflections used | 27112 |
Rwork / Rfree (%) | 22.2/25.5 |
Protein (no. residues) | 762 |
Waters | 12 |
B factors (Å2) | |
Protein | 55.4 |
Waters | 42.1 |
RMSDs: bond lengths (Å) | 0.013 |
RMSDs: bond angles (°) | 1.51 |
Ramachandran plot residues (%) | |
Favored | 95.4 |
Allowed | 4.6 |
Disallowed | 0.0 |
MolProbity overall score | 2.38 |