Table 1. Data-collection and refinement statistics for SeMet GNA1162 (PDB entry 4hrv).
Values in parentheses are for the highest resolution shell.
| Detector | ADSC Quantum 315r |
| Space group | P21 |
| Unit-cell parameters (, ) | a = 43.9, b = 96.1, c = 45.0, = 112.8 |
| Wavelength () | 0.9792 |
| Resolution range () | 31.41.89 (1.961.89) |
| Total reflections | 27281 |
| No. of unique reflections | 26425 |
| Molecules in asymmetric unit | 2 |
| Multiplicity | 7.3 (6.6) |
| R merge † (%) | 7.8 (76.2) |
| I/(I) | 27.68 (2.28) |
| Completeness (%) | 95.9 (83.0) |
| FOM | 0.608 |
| Refinement | |
| Resolution range () | 31.41.89 |
| R cryst ‡ (%) | 23.16 |
| R free § (%) | 25.02 |
| R.m.s.d., bond lengths () | 0.006 |
| R.m.s.d., bond angles () | 0.969 |
| No. of reflections | |
| Test set | 2007 |
| Working | 24418 |
| No. of protein atoms | 2089 |
| No. of solvent atoms | 36 |
| Ramachandran plot, residues in (%) | |
| Most favoured regions | 93.8 |
| Additional allowed region | 6.2 |
| Generously allowed region | 0 |
| Disallowed region | 0 |
| Average B factor (2) | |
| Protein | 46.1 |
| Solvent | 51.3 |
| DPI () | 0.1347 |
†
R
merge = 
.
‡
R
cryst = 
.
§
R free is calculated in the same way as R cryst but from a test set containing 7.6% of the data, which were excluded from refinement.