5DUF
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK729A
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 | 2012-10-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 63 |
| Unit cell lengths | 103.880, 103.880, 54.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.900 - 1.500 |
| R-factor | 0.1734 |
| Rwork | 0.173 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3he2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.140 |
| 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] | 51.900 | 1.470 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.045 | 0.675 |
| Number of reflections | 61860 | |
| <I/σ(I)> | 26.2 | 3.5 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 11.3 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 10 % v/v polypropylene glycol |
