4ZOF
Lobenzarit-like inhibitor bound in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-30 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 94.191, 78.763, 99.674 |
Unit cell angles | 90.00, 109.45, 90.00 |
Refinement procedure
Resolution | 35.809 - 1.800 |
R-factor | 0.1863 |
Rwork | 0.185 |
R-free | 0.21940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3QR9 chain A |
RMSD bond length | 0.010 |
RMSD bond angle | 1.098 |
Data scaling software | XDS |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 47.000 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.179 |
Number of reflections | 63649 |
<I/σ(I)> | 7.3 |
Completeness [%] | 100.0 |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2 M imidazole-malate, 15% PEG4000 |