6HFW
Mycobacterium tuberculosis DprE1 in complex with CMP1
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 | 78.340, 84.730, 80.900 |
Unit cell angles | 90.00, 103.20, 90.00 |
Refinement procedure
Resolution | 56.690 - 2.470 |
R-factor | 0.17042 |
Rwork | 0.168 |
R-free | 0.22027 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.192 |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.690 | 2.600 |
High resolution limit [Å] | 2.470 | 2.470 |
Number of reflections | 33896 | |
<I/σ(I)> | 11.3 | |
Completeness [%] | 96.8 | |
Redundancy | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 298 | 20mM in 30% PPG, 100mM Imidazole,pH 7.4 |