3UU1
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor ACS142)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-06-19 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.226, 110.962, 80.382 |
| Unit cell angles | 90.00, 89.97, 90.00 |
Refinement procedure
| Resolution | 80.380 - 1.820 |
| R-factor | 0.21435 |
| Rwork | 0.212 |
| R-free | 0.25563 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zvw |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.448 |
| Data reduction software | DENZO |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 111.000 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.076 | 0.482 |
| Number of reflections | 116249 | |
| <I/σ(I)> | 11.1 | 3 |
| Completeness [%] | 95.2 | 73.5 |
| Redundancy | 4.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2M imidazole malate, 11% PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
