Table 1. Data collection and refinement statistics for the RadA crystal.
Data Types | Variables | Number |
Collection | Space group | P31 |
Unit cell a, b, c (Å) | 99.55, 99.55, 99.41 | |
Resolution (Å) | 30–1.93 (2.00–1.93) | |
Number of observations | 260120 (18570) | |
Unique reflections | 81660 (7557) | |
Completeness (%) | 98.6 (91.4) | |
Average I/σ(I) | 20.2 (1.9) | |
Rmerge (%) | 5.4 (44.9) | |
Refinement | Number of reflections | 78018 (6168) |
Rwork (95% data) | 0.237 (0.346) | |
Rfree (5% data) | 0.295 (0.345) | |
Rwork (twin) | 0.191 (0.306) | |
Rfree (twin) | 0.241 (0.320) | |
R.m.s.d bond distance (Å) | 0.018 | |
R.m.s.d bond angle (deg) | 1.7 | |
Ramachandran plot (% non-Gly & non-Pro residues) | ||
In most favored regions | 92.6 | |
In additional allowed regions | 7.4 | |
Average B (Å2)/No. of non-H atoms | ||
A-chain protein | 48.2/1799 | |
B-chain protein | 38.6/2254 | |
C-chain protein | 38.1/2245 | |
Water molecules | 54.1/1099 |
All positive reflections were used in the refinement. Numbers in parentheses are for the highest resolution shell.