5DU4
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK366A
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 | H 3 |
| Unit cell lengths | 94.830, 94.830, 87.510 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.400 - 1.702 |
| R-factor | 0.1943 |
| Rwork | 0.193 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3he2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.197 |
| 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] | 47.400 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.064 | 0.530 |
| Number of reflections | 31804 | |
| <I/σ(I)> | 12.6 | 2.7 |
| Completeness [%] | 98.9 | 99.3 |
| Redundancy | 5.5 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1 M Tris-HCl, 20 % v/v ethanol |
