4OWQ
Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 3-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 | 79.351, 92.268, 121.681 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.520 - 1.890 |
R-factor | 0.169 |
Rwork | 0.168 |
R-free | 0.19190 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.479 |
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] | 121.681 | 121.681 | 2.000 |
High resolution limit [Å] | 1.890 | 5.990 | 1.890 |
Rmerge | 0.032 | 0.480 | |
Rmeas | 0.084 | ||
Rpim | 0.031 | 0.014 | 0.211 |
Total number of observations | 519744 | 16955 | 72989 |
Number of reflections | 71647 | ||
<I/σ(I)> | 17.8 | 44.3 | 3.5 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 7.3 | 6.8 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | imidazole/malate, PEG 4000 |