4X5B
Anthranilate phosphoribosyltransferase variant R193L from Mycobacterium tuberculosis in complex with PRPP and Mg
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 | C 1 2 1 |
Unit cell lengths | 94.420, 78.130, 100.430 |
Unit cell angles | 90.00, 110.53, 90.00 |
Refinement procedure
Resolution | 39.990 - 2.470 |
R-factor | 0.2129 |
Rwork | 0.210 |
R-free | 0.25940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qr9 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.165 |
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] | 39.990 | 39.990 | 2.590 |
High resolution limit [Å] | 2.470 | 8.190 | 2.470 |
Rmerge | 0.186 | 0.042 | 1.081 |
Rpim | 0.093 | 0.021 | 0.542 |
Total number of observations | 121456 | 3557 | 16357 |
Number of reflections | 24299 | ||
<I/σ(I)> | 7.5 | 20.5 | 1.9 |
Completeness [%] | 98.8 | 97.8 | 98.9 |
Redundancy | 5 | 5.1 | 5.1 |
CC(1/2) | 0.988 | 0.998 | 0.569 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | imidazole malate, PEG 4000 |