Table 1.
Data collection and refinement statistics.
| hGPT (canonical)* | hGPT (His129 variant)† | |
|---|---|---|
| Data collection | ||
| Space group | C2 | C2 |
| Cell dimensions | ||
| a, b, c (Å) | 212.27, 105.51, 149.39 | 210.62, 105.36, 148.08 |
| α, β, γ (°) | 90, 103.53, 90 | 90, 103.49, 90 |
| Wavelength (Å) | 0.9791 | 0.9791 |
| Resolution (Å) | 75.31 - 3.10 (3.21 - 3.10)a | 93.69 - 2.95 (3.06 - 2.95)a |
| CC1/2 | 0.96 (0.59) | 0.84 (0.76) |
| I/σ(I) | 13.65 (0.66) | 17.51 (0.56) |
| Rpim | 0.068 (>1.0) | 0.079 (>1.0) |
| Redundancy | 79.9 (69.1) | 112.4 (112.8) |
| Completeness (%) | 97.5 (96.3) | 92.6 (54.7) |
| Completeness‡ (%) | 60.1 (18.4) | 55.3 (15.7) |
| Ellipsoidal completeness‡ (%) | 94.9 (99.8) | 94.8 (99.5) |
| Refinement | ||
| Resolution (Å) | 75.31 - 3.10 (3.21 - 3.10)a | 93.69 - 2.95 (3.06 - 2.95)a |
| No. reflections | 35100 (1071) | 36769 (1030) |
| Rwork/Rfree (%) | 25.6/28.9 | 26.0/29.1 |
| No. atoms | ||
| Protein | 11170 | 11280 |
| Tunicamycin/POPG | 360 | 364 |
| B factors | ||
| Protein | 44.71 | 41.80 |
| Tunicamycin/POPG | 51.08 | 46.50 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.003 | 0.003 |
| Bond angles (°) | 0.68 | 0.58 |
| Ramachandran (%) | ||
| Favored | 96.48 | 97.23 |
| Allowed | 3.52 | 2.77 |
| Outliers | 0.0 | 0.0 |
| Rotamer outliers | 0.0 | 0.0 |
| Clashscore | 4.66 | 1.57 |
*
Merged from 23 crystals.
†
Merged from 31 crystals.
‡
After applying anisotropy correction in STARANISO.
a
Values in parentheses are for highest-resolution shell.
Ellipsoidal completeness was calculated by STARANISO. All other statistics were calculated in PHENIX.