3R6C
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor ACS179)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-06-16 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541790 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.982, 77.930, 99.803 |
| Unit cell angles | 90.00, 110.18, 90.00 |
Refinement procedure
| Resolution | 93.680 - 1.830 |
| R-factor | 0.18808 |
| Rwork | 0.186 |
| R-free | 0.22654 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.497 |
| 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] | 93.680 | 93.676 | 1.930 |
| High resolution limit [Å] | 1.830 | 5.800 | 1.830 |
| Rmerge | 0.023 | 0.373 | |
| Number of reflections | 58097 | ||
| <I/σ(I)> | 24.8 | 24.1 | 1.9 |
| Completeness [%] | 98.0 | 99.8 | 86 |
| Redundancy | 7.1 | 7.3 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2 M imidazole/malate, 11% PEG4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
