5ZHL
Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.690, 50.230, 57.940 |
| Unit cell angles | 90.00, 90.95, 90.00 |
Refinement procedure
| Resolution | 41.500 - 2.250 |
| R-factor | 0.161 |
| Rwork | 0.158 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wyq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.500 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.058 | 0.238 |
| Number of reflections | 9936 | 4380 |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 97.8 | |
| Redundancy | 3.3 |
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. |
