2QHF
Mycobacterium tuberculosis Chorismate synthase in complex with NCA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-19 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 132.589, 132.589, 159.565 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.650 - 1.650 |
| R-factor | 0.16508 |
| Rwork | 0.164 |
| R-free | 0.18649 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qxo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.346 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.670 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.055 | 0.521 |
| Number of reflections | 98095 | |
| <I/σ(I)> | 30.3 | 2.2 |
| Completeness [%] | 98.8 | 99.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 296 | 4.8 M NH4-Acetate, 0.1 M Na-Acetate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
