5DU8
Crystal structure of M. tuberculosis EchA6 bound to GSK572A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.390, 115.980, 171.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 96.070 - 2.230 |
| R-factor | 0.22157 |
| Rwork | 0.220 |
| R-free | 0.25368 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3he2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.380 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.100 | 2.290 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.094 | 0.674 |
| Number of reflections | 50922 | |
| <I/σ(I)> | 11.9 | 2.9 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.3 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.2 M sodium chloride, 0.1 M sodium cacodylate pH 6.5, 2 M ammonium sulfate, cryoprotected adding a 10 % ethylene glycol |
