Table 1.
Measurement, processing and refinement statistics for the mtbMGL crystal structure.
| Measurement and Processing | ||||||
|---|---|---|---|---|---|---|
| Wavelength (Å) | 0.97895 | |||||
| Resolution (Å) | 49.21 – 1.80 (1.84–1.80) | |||||
| Space group | P 31 1 2 | |||||
| a | b | c | α | β | γ | |
| Unit cell (Å, °) | 85.82 | 85.82 | 196.98 | 90.0 | 90.0 | 120.0 |
| Total reflections | 741011 (39737) | |||||
| Unique reflections | 77304 (4549) | |||||
| Rmerge | 0.105 (0.853) | |||||
| Rpim | 0.035 (0.307) | |||||
| Rmeas | 0.111 (0.907) | |||||
| CC 1/2 | 0.998 (0.734) | |||||
| Completeness | 100.0% (100.0%) | |||||
| Mean I/sd(I) | 16.4 (2.6) | |||||
| Multiplicity | 9.6 (8.7) | |||||
| Average Mosaicity | 0.18° | |||||
| Refinement | ||||||
| Rfree | 0.251 | |||||
| Rwork | 0.221 | |||||
| r.m.s.d. bonds (Å) | 0.003 | |||||
| r.m.s.d. angles (°) | 1.010 | |||||
| Ramachandran favored (%) | 96.69 | |||||
| Ramachandran disallowed (%) | 0.00 | |||||
Numbers in brackets are for the high resolution shell.