4OWU
Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 5-methylanthranilate, PRPP and Magnesium
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) | 0.95369 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.486, 91.792, 120.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.090 - 1.890 |
R-factor | 0.1653 |
Rwork | 0.164 |
R-free | 0.19550 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.475 |
Data scaling software | SCALA (3.3.15) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 120.801 | 120.801 | 1.990 |
High resolution limit [Å] | 1.890 | 5.980 | 1.890 |
Rmerge | 0.023 | 0.485 | |
Rmeas | 0.075 | ||
Rpim | 0.028 | 0.010 | 0.217 |
Total number of observations | 515254 | 16980 | 71492 |
Number of reflections | 71474 | ||
<I/σ(I)> | 20.6 | 55.2 | 3.8 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 7.2 | 6.8 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | imidazole/malate, PEG 4000 |