3PHG
Crystal structure of the Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-01-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.328, 46.181, 118.702 |
| Unit cell angles | 90.00, 99.04, 90.00 |
Refinement procedure
| Resolution | 23.560 - 1.570 |
| R-factor | 0.20162 |
| Rwork | 0.200 |
| R-free | 0.23967 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.602 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.630 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.064 | 0.448 |
| Number of reflections | 66787 | |
| <I/σ(I)> | 19.8 | 2.39 |
| Completeness [%] | 99.5 | 90.1 |
| Redundancy | 3.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 2 | ||||
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M magnesium chloride, 35% PEG 3350, 0.1M Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
