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 |
