TABLE 1.
Data collection and refinement statistics for set 1 NpGo structures
| Data collection | GpGo | ApGo | TpGo |
|---|---|---|---|
| Radiation source | APS-24-IDE | APS-24-IDE | APS-24-IDE |
| Resolution (Å) | 50-1.85 | 50-1.80 | 50-1.70 |
| Unique reflections | 38,874 | 40,545 | 49,297 |
| Completeness (%)a | 99.4 (99.1) | 96.8 (97.6) | 99.1 (98.4) |
| Redundancya | 4.4 (4.6) | 4.9 (4.8) | 6.5 (6.0) |
| Rmergea,b | 0.052 (0.476) | 0.055 (0.524) | 0.055 (0.578) |
| 〈I/σ〉a | 32.5 (3.1) | 31.5 (2.8) | 44.1 (3.6) |
| Space group | P212121 | P212121 | P212121 |
| Unit cell dimensions | a + 45.42 | a + 45.25 | a + 45.28 |
| b + 93.42 | b + 93.59 | b + 93.94 | |
| c + 104.54 | c + 104.23 | c + 104.13 | |
| Refinement and model | |||
| Resolution (Å) | 32.7-1.87 | 32.7-1.80 | 32.7-1.70 |
| Rworka,c (%) | 18.6 (20.9) | 18.9 (21.0) | 19.1 (18.9) |
| Rfreea,c (%) | 21.6 (26.8) | 21.1 (25.4) | 20.7 (21.4) |
| Mean B-factors | |||
| Protein | 27.63 | 27.47 | 27.03 |
| Water | 40.31 | 39.43 | 39.70 |
| Root mean square deviation from ideality | |||
| Bond lengths (Å) | 0.007 | 0.006 | 0.007 |
| Bond angles (°) | 1.283 | 1.217 | 1.287 |
| Ramachandran plotd (%) | |||
| Most favored | 95.3 | 94.4 | 93.9 |
| Additionally allowed | 4.2 | 5.2 | 5.6 |
| Generously allowed | 0.5 | 0.5 | 0.9 |
| PDB ID | 3U6D | 3U6C | 3U6E |
a Values in parentheses refer to the highest resolution shell.
b Rmerge + Σ|I − 〈I〉|/Σ〈I〉, where I is the observed intensity.
c Rwork + Σ|Fo − Fc|/Σ|Fo|, where Fo and Fc are the observed and calculated structure factor amplitudes, respectively. Rfree was calculated based on 5% data randomly selected and omitted throughout structure refinement (50).
d Values calculated using PROCHECK (34).