4NCR
Crystal structure of M. tuberculosis DprE1 in complex with PBTZ169
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-04 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.053, 84.999, 81.372 |
Unit cell angles | 90.00, 101.10, 90.00 |
Refinement procedure
Resolution | 48.870 - 1.881 |
R-factor | 0.18958 |
Rwork | 0.187 |
R-free | 0.23446 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fdp |
RMSD bond length | 0.022 |
RMSD bond angle | 2.254 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.872 | 2.000 |
High resolution limit [Å] | 1.881 | 1.881 |
Number of reflections | 77681 | |
Completeness [%] | 95.3 | 84.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 36% PPG400, 0.1 M imidazole, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |