3MRS
Crystal structure of shikimate kinase mutant (R57A) from Helicobacter pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL12B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL12B2 |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2010-04-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 88.899, 88.899, 39.874 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.24737 |
| Rwork | 0.246 |
| R-free | 0.27277 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zui |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.617 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.038 | 0.131 |
| Number of reflections | 6651 | |
| <I/σ(I)> | 56.02 | 19.49 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 10.4 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 18% PEG 4000, 8% isopropanol, 0.1M sodium HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
