6AL9
Crystal structure of chorismate mutase from Helicobacter pylori in complex with prephenate
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 | 2015-03-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953700 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 38.869, 63.526, 166.918 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.430 - 2.300 |
| R-factor | 0.2076 |
| Rwork | 0.206 |
| R-free | 0.23691 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ybz 2D8D and 3RMI |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.301 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.730 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.210 |
| Rmerge | 0.121 | 0.372 |
| Number of reflections | 10877 | |
| <I/σ(I)> | 11.6 | 4.1 |
| Completeness [%] | 99.1 | 99.8 |
| Redundancy | 8.9 | 8.6 |
| CC(1/2) | 0.996 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.1 M MES pH 6.5, 0.2 M ammonium acetate, 35% glycerol ethoxylate, 0.5 mM chorismate acid |
