2FEZ
Mycobacterium tuberculosis EmbR
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-28 |
Detector | MARRESEARCH |
Wavelength(s) | 0.931 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 78.172, 83.614, 140.815 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.000 - 2.000 |
R-factor | 0.20837 |
Rwork | 0.207 |
R-free | 0.22842 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.061 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.400 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.089 | 0.470 |
Number of reflections | 31575 | |
<I/σ(I)> | 20.6 | 4.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.1 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 285 | 0.1 M Na-Hepes, pH 7.5, 15% PEG 4000, 0.2 M magnesium choride, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 285 | 0.1 M Na-Hepes, pH 7.5, 15% PEG 4000, 0.2 M magnesium choride, 5 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 285K |