5ZHI
Apo crystal structure of TrmD from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-01 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.170, 113.070, 44.210 |
| Unit cell angles | 90.00, 110.75, 90.00 |
Refinement procedure
| Resolution | 38.830 - 2.200 |
| R-factor | 0.16159 |
| Rwork | 0.160 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | homology modeling from I-TASSER server |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.304 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.300 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.055 | 0.226 |
| Number of reflections | 19717 | 5534 |
| <I/σ(I)> | 16.1 | |
| Completeness [%] | 96.1 | 91.8 |
| Redundancy | 3.7 | 3.5 |
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 |
