5DU6
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A.
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 | 2013-02-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.400, 116.640, 171.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 85.900 - 2.610 |
| R-factor | 0.1951 |
| Rwork | 0.193 |
| R-free | 0.24010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3he2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.126 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.900 | 2.680 |
| High resolution limit [Å] | 2.610 | 2.610 |
| Rmerge | 0.105 | 0.592 |
| Number of reflections | 31967 | |
| <I/σ(I)> | 8.7 | 2 |
| Completeness [%] | 99.0 | 99.4 |
| Redundancy | 4.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.6 M tri-sodium citrate, cryoprotected by adding 10 % glycerol |
