4FEH
Mycobacterium tuberculosis DprE1 - hexagonal crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-12-09 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9173 |
Spacegroup name | P 64 |
Unit cell lengths | 127.880, 127.880, 64.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.339 - 2.035 |
R-factor | 0.1921 |
Rwork | 0.191 |
R-free | 0.21960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Dpre1 - monoclinic crystal form |
RMSD bond length | 0.008 |
RMSD bond angle | 1.125 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.300 | 2.090 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.051 | 0.764 |
Number of reflections | 38562 | |
<I/σ(I)> | 21.4 | 2.3 |
Completeness [%] | 99.7 | 99.4 |
Redundancy | 5.6 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 288 | 0.1 M sodium cacodylate, 35% ethylene glycol, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 288K |