5DTW
Crystal structure of M. tuberculosis EchA6 bound to C20-CoA
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 1 21 1 |
| Unit cell lengths | 113.603, 51.275, 156.825 |
| Unit cell angles | 90.00, 106.80, 90.00 |
Refinement procedure
| Resolution | 42.848 - 2.439 |
| R-factor | 0.2245 |
| Rwork | 0.222 |
| R-free | 0.27490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3he2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.202 |
| 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] | 108.900 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.084 | 0.499 |
| Number of reflections | 68420 | |
| <I/σ(I)> | 9.6 | 2.1 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.17 M ammonium sulfate, 25.5 % w/v PEG 4000, 15 % v/v glycerol |
