5WUY
Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-13 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 72.980, 89.790, 108.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.790 - 2.500 |
R-factor | 0.21481 |
Rwork | 0.213 |
R-free | 0.25295 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ob9 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.793 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.380 | 2.550 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 23133 | |
<I/σ(I)> | 15.3 | 1.8 |
Completeness [%] | 92.0 | 94 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 50mm tris-HCl, 0.2M MgCl2, 20% PEG3350 |