Table 2.
Phasing and refinement statistics for TA1238 structure.
| Energies | Resolution (Å)a | Phasing Number of reflectionsa | Phasing powera | FOMa |
|---|---|---|---|---|
| Infl. point | 40–2.5 (2.81–2.7) | 11161 (1147) | 5.17 (1.80) | 0.50 (0.37) |
| Peak | 40–2.5 (2.81–2.7) | 11154 (1158) | 5.85 (2.08) | 0.49 (0.31) |
| Remote | 40–2.5 (2.81–2.7) | 11101 (1127) | 4.88 (1.64) | 0.49 (0.29) |
| Overall | 41.4–2.5 (2.81–2.7) | 11431 (1244) | 0.81 (0.52) |
| Refinement | ||
|---|---|---|
| Resolution (Å) | 70–2.0b | 2.05–2.0 |
| Number of reflections | 10810 | 735 |
| R factor % | 21.3 | 25.4 |
| R free % | 25.6 | 33.5 |
| Correlation | 94.9 | |
| Correlation (free) | 91.6 | |
| Number of all atoms | 1309 | |
| Number of solvent atoms | 41 | |
| Mean B factor | 32.85 | |
| Deviations from ideal |
Refined |
Target |
| Covalent bonds | 0.024 | 0.021 |
| Bond angles | 1.88 | 1.950 |
| Planarity | 0.016 | 0.02 |
| Chiral centers | 0.127 | 0.20 |
| Torsion angles | 7.96 | 5.0 |
| VDW contacts | 0.227 | 0.20 |
a
Parentheses show the statistics in the highest-resolution shell.
b
Low resolution limit is as assigned by the CCP4 suite.