4UNS
Mtb TMK in complex with compound 40
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-22 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 32 |
| Unit cell lengths | 75.513, 75.513, 71.817 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.400 - 2.180 |
| R-factor | 0.18339 |
| Rwork | 0.182 |
| R-free | 0.21248 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g3u |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.281 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.370 |
| Number of reflections | 23875 | |
| <I/σ(I)> | 11.2 | 2.6 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
