3PHJ
Shikimate 5-Dehydrogenase (aroE) from Helicobacter pylori in complex with 3-Dehydroshikimate
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 | 2010-04-24 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97622 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.593, 47.156, 124.124 |
Unit cell angles | 90.00, 97.63, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.20426 |
Rwork | 0.204 |
R-free | 0.21452 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3phg |
RMSD bond length | 0.014 |
RMSD bond angle | 1.470 |
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 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.075 | 0.457 |
Number of reflections | 23057 | |
<I/σ(I)> | 16.1 | 2.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 25.5% PEG 8000, 0.1M BIS-TRIS, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |