4UNN
Mtb TMK in complex with compound 8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 |
| Unit cell lengths | 75.624, 75.624, 71.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.750 - 2.500 |
| R-factor | 0.13684 |
| Rwork | 0.135 |
| R-free | 0.18164 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g3u |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.492 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.800 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.130 | 0.520 |
| Number of reflections | 15736 | |
| <I/σ(I)> | 7.6 | 2.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
