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 |