4N5V
Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl transferase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95365 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.595, 92.542, 121.063 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.520 - 1.900 |
R-factor | 0.18397 |
Rwork | 0.182 |
R-free | 0.21796 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qr9 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.417 |
Data reduction software | PROCESS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 121.060 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.100 | 1.009 |
Number of reflections | 71154 | |
<I/σ(I)> | 14.7 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | 0.1 M imidazole/malate, 7.5% PEG4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K |