3D55
Crystal structure of M. tuberculosis YefM antitoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.848, 64.776, 83.486 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.300 - 2.130 |
| R-factor | 0.18151 |
| Rwork | 0.180 |
| R-free | 0.21657 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cto |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.495 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0011) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.300 | 2.230 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.057 | 0.448 |
| Number of reflections | 18793 | |
| <I/σ(I)> | 24.5 | 3.8 |
| Completeness [%] | 86.1 | 93.9 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.8 | 298 | 1.0M ammonium sulphate, 0.1M sodium phosphate-citrate, 1% Glycerol, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
