5DTP
Crystal structure of M. tuberculosis EchA6 (apo, trigonal crystal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-06 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 103.120, 103.120, 143.440 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 89.300 - 1.910 |
| R-factor | 0.18315 |
| Rwork | 0.182 |
| R-free | 0.20099 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3he2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.976 |
| 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] | 89.300 | 1.960 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.065 | 0.740 |
| Number of reflections | 68929 | |
| <I/σ(I)> | 15.9 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Tris-HCl, 60% v/v polypropylene glycol 400 |
