5E7Z
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis in complex with D/L-tryptophan and D-phenylalanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953700 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 206.357, 206.357, 66.941 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.550 - 2.400 |
| R-factor | 0.138 |
| Rwork | 0.137 |
| R-free | 0.16100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nv8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.006 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 47.550 |
| High resolution limit [Å] | 2.330 |
| Number of reflections | 71044 |
| <I/σ(I)> | 4.2 |
| Completeness [%] | 100.0 |
| Redundancy | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | CRYSTALLIZATION CONDITIONS: 0.1 M TRIS-HCL, PH 7.5, 1.5M AMMONIUM SULFATE, 12% V/V GLYCEROL. CRYSTALS WERE SOAKED IN THE SAME SOLUTION WITH AN ADDITIONAL 10% V/V GLYCEROL AND 0.25 MILLIM D-PHENYLALANINE AND 2.5 MILLIM TRYPTOPHAN |
