3CTO
Crystal Structure of M. tuberculosis YefM antitoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2005-10-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.2 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.003, 64.573, 83.518 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.950 - 2.500 |
| R-factor | 0.20767 |
| Rwork | 0.205 |
| R-free | 0.25452 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.604 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.059 | 0.188 |
| Number of reflections | 12447 | |
| <I/σ(I)> | 22.3 | 8.5 |
| Completeness [%] | 98.2 | 96.5 |
| Redundancy | 4.9 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 10% PEG 1000, 0.1M sodium phosphate citrate, 0.5M lithium sulphate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
