3QS8
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor ACS174)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-07-08 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.390, 80.823, 110.520 |
| Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
| Resolution | 40.420 - 2.000 |
| R-factor | 0.19097 |
| Rwork | 0.188 |
| R-free | 0.24418 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.544 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.423 | 2.047 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.283 | |
| Number of reflections | 94047 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 98.8 | 98.9 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2M imidazole malate, 11% PEG4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
