4N8Q
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 | 79.587, 90.998, 120.039 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.520 - 2.080 |
R-factor | 0.1991 |
Rwork | 0.197 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qr9 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.476 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 120.039 | 120.039 | 2.200 |
High resolution limit [Å] | 2.080 | 6.590 | 2.080 |
Rmerge | 0.077 | 0.033 | 0.482 |
Total number of observations | 12265 | 55858 | |
Number of reflections | 52823 | ||
<I/σ(I)> | 17.2 | 15.8 | 1.5 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.2 | 6.7 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1 M imidazole/malate, 7.5% PEG4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |