5ZHK
Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-11 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00004 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.090, 50.800, 58.081 |
| Unit cell angles | 90.00, 90.56, 90.00 |
Refinement procedure
| Resolution | 58.080 - 2.300 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wyq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.080 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.115 | 0.438 |
| Number of reflections | 8972 | 3432 |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 94.2 | |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 100mM Bis-Tris at pH 6.5, 20%(w/v) PEG3350, 0.1M ammonium acetate; the crystal was soaked with 1 mM inhibitor. |
