3QS8
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor ACS174)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-07-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.95369 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.390, 80.823, 110.520 |
Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
Resolution | 40.420 - 2.000 |
R-factor | 0.19097 |
Rwork | 0.188 |
R-free | 0.24418 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.544 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.423 | 2.047 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.283 | |
Number of reflections | 94047 | |
<I/σ(I)> | 2 | |
Completeness [%] | 98.8 | 98.9 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2M imidazole malate, 11% PEG4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |