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 |