3QSA
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor TAMU-A7)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2009-08-21 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.541790 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.072, 91.459, 120.501 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.850 - 2.180 |
R-factor | 0.19972 |
Rwork | 0.197 |
R-free | 0.25726 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.468 |
Data reduction software | DENZO |
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] | 72.852 | 120.501 | 2.300 |
High resolution limit [Å] | 2.180 | 6.890 | 2.180 |
Rmerge | 0.238 | 0.011 | 0.011 |
Number of reflections | 46372 | ||
<I/σ(I)> | 9.2 | 15.8 | 0.7 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 7.2 | 6.6 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2M imidazole malate, 5% glycerol, 10% PEG-4000, Seeded, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |