3UU1
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor ACS142)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2009-06-19 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.541790 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.226, 110.962, 80.382 |
Unit cell angles | 90.00, 89.97, 90.00 |
Refinement procedure
Resolution | 80.380 - 1.820 |
R-factor | 0.21435 |
Rwork | 0.212 |
R-free | 0.25563 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zvw |
RMSD bond length | 0.014 |
RMSD bond angle | 1.448 |
Data reduction software | DENZO |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 111.000 | 1.920 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.076 | 0.482 |
Number of reflections | 116249 | |
<I/σ(I)> | 11.1 | 3 |
Completeness [%] | 95.2 | 73.5 |
Redundancy | 4.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2M imidazole malate, 11% PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |