5M3I
Macrodomain of Mycobacterium tuberculosis DarG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-04 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.840, 75.450, 116.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.220 - 2.170 |
| R-factor | 0.21375 |
| Rwork | 0.212 |
| R-free | 0.25135 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dx6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.498 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.220 | 2.230 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.084 | 2.302 |
| Number of reflections | 32503 | |
| <I/σ(I)> | 15.2 | 1.5 |
| Completeness [%] | 99.2 | 98.4 |
| Redundancy | 13.2 | 13.2 |
| CC(1/2) | 0.658 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 200 mM ammonium chloride and 20% (w/v) PEG 3350 |
