4X5D
Anthranilate phosphoribosyltransferase variant R193A from Mycobacterium tuberculosis with anthranilate bound
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 | 2012-12-03 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.950, 91.646, 120.832 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.770 - 2.300 |
R-factor | 0.1845 |
Rwork | 0.184 |
R-free | 0.20060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qr9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.348 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 120.830 | 120.830 | 2.390 |
High resolution limit [Å] | 2.300 | 8.290 | 2.300 |
Rmerge | 0.063 | 0.016 | 0.510 |
Rpim | 0.017 | 0.005 | 0.142 |
Total number of observations | 585858 | 12014 | 59601 |
Number of reflections | 40167 | ||
<I/σ(I)> | 41.7 | 140.3 | 6 |
Completeness [%] | 99.9 | 99.7 | 99.4 |
Redundancy | 14.6 | 12.3 | 13.5 |
CC(1/2) | 1.000 | 1.000 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | imidazole malate, PEG 4000 |