4FR5
Crystal Structure of Shikimate Dehydrogenase (aroE) Y210S Mutant from Helicobacter pylori in Complex with Shikimate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-06-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.507, 88.523, 118.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.1965 |
| Rwork | 0.195 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3phg |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.419 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.730 | 2.200 |
| Rmerge | 0.081 | 0.039 | 0.462 |
| Number of reflections | 25263 | ||
| <I/σ(I)> | 11.3 | 34.2 | 4 |
| Completeness [%] | 98.7 | 99 | 95.6 |
| Redundancy | 5.6 | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M sodium acetate, 0.1M Tris, 36% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
