3R88
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor ACS145)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2009-04-27 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.541790 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 94.312, 78.849, 100.494 |
Unit cell angles | 90.00, 110.27, 90.00 |
Refinement procedure
Resolution | 58.860 - 1.730 |
R-factor | 0.17742 |
Rwork | 0.175 |
R-free | 0.21423 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.423 |
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] | 58.864 | 94.272 | 1.820 |
High resolution limit [Å] | 1.730 | 5.470 | 1.730 |
Rmerge | 0.021 | 0.657 | |
Number of reflections | 71917 | ||
<I/σ(I)> | 23.1 | 30.3 | 1.2 |
Completeness [%] | 99.8 | 99.1 | 99.2 |
Redundancy | 7.3 | 7.3 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2M cacodylate, 9% PEG-6000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |