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 |
