3QQS
Anthranilate phosphoribosyltransferase (TRPD) from Mycobacterium tuberculosis (complex with inhibitor ACS172)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-06-04 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.929, 78.213, 101.702 |
| Unit cell angles | 90.00, 111.01, 90.00 |
Refinement procedure
| Resolution | 88.750 - 1.970 |
| R-factor | 0.21814 |
| Rwork | 0.216 |
| R-free | 0.25925 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zvw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.456 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.900 | 2.080 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.091 | 0.720 |
| Number of reflections | 97403 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 99.1 | 97.8 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.2 M cacodylate, 7% PEG6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
