4ZTV
Non-anthranilate-like inhibitor (TAMU-A7) complexed with anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis in absence of PRPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.651, 91.241, 119.248 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.235 - 2.010 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.22240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qr9 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.769 |
| Data scaling software | XDS (2012) |
| Phasing software | PHASER (2.5.1) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.000 | 2.060 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.190 | 2.457 |
| Number of reflections | 58609 | |
| <I/σ(I)> | 16.2 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.7 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2M imidazole.malate, 15% PEG-4000, pH 7.5, streak-seeded from ligand-free Mtb-AnPRT crystals |
