3PHI
Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with Shikimate and NADPH
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 | 2008-11-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.990, 48.391, 123.002 |
| Unit cell angles | 90.00, 97.61, 90.00 |
Refinement procedure
| Resolution | 28.230 - 2.040 |
| R-factor | 0.20896 |
| Rwork | 0.208 |
| R-free | 0.23124 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3phg |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.656 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.120 |
| High resolution limit [Å] | 2.040 | 2.050 |
| Rmerge | 0.037 | 0.131 |
| Number of reflections | 32329 | |
| <I/σ(I)> | 32.2 | 10.3 |
| Completeness [%] | 96.9 | 90.9 |
| Redundancy | 4.4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 25% PEG 8000, 0.1M BIS-TRIS, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
