Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Resolution (data processing) (Å) | 32.14–2.00 (2.05–2.00) |
| No. of images | 272 |
| Oscillation range (°) | 0.25 |
| Space group | P3121 |
| Unit-cell parameters (Å) | a = b = 120.95, c = 110.03 |
| No. of reflections/unique reflections | 256351/62822 |
| Redundancy | 4.08 (4.00) |
| Completeness (%) | 99.6 (100.0) |
| Rmerge† | 0.083 (0.351) |
| Wilson B value (Å2) | 25.2 |
| I/σ(I) | 10.4 (3.7) |
| Resolution (refinement) (Å) | 32.14–2.00 (2.05–2.00) |
| Rfree‡ | 0.245 (0.385) |
| Rcryst§ | 0.188 (0.317) |
| Mean B values (Å2) | |
| Protein | 27.8 |
| Water molecules | 33.6 |
| Estimated coordinate error¶ (Å) | 0.12 |
| Residues/water molecules | 584/522 |
| R.m.s.d.s from ideal geometry | |
| Bond lengths (Å) | 0.010 |
| Bond angles (°) | 1.22 |
R
merge =
.
R free is based on 5% of the total reflections excluded from refinement.
R
cryst =
.
Based on maximum-likelihood calculations.