6HFV
Mycobacterium tuberculosis DprE1 in complex with CMP2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0725 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.080, 84.430, 80.450 |
Unit cell angles | 90.00, 103.00, 90.00 |
Refinement procedure
Resolution | 57.400 - 2.050 |
R-factor | 0.17755 |
Rwork | 0.176 |
R-free | 0.20844 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.152 |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.400 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 63093 | |
<I/σ(I)> | 14.3 | |
Completeness [%] | 98.8 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 298 | 20mM in 30% PPG, 100mM Imidazole, pH 7.4 |