3O8Q
1.45 Angstrom Resolution Crystal Structure of Shikimate 5-Dehydrogenase (aroE) from Vibrio cholerae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.871, 63.146, 136.842 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.320 - 1.450 |
R-factor | 0.15398 |
Rwork | 0.152 |
R-free | 0.19455 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nyt |
RMSD bond length | 0.014 |
RMSD bond angle | 1.539 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.480 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.058 | 0.549 |
Number of reflections | 88234 | |
<I/σ(I)> | 25.7 | 3.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 5.8 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | Protein: 6.8 mGr/mL, 0.5 Sodium cloride, 0.01M Tris-HCl pH 8.3, 10 mM Curcumin; Screen: PEGs II (D1), 0.1M Sodium acetate, 0.1M HEPES pH 7.5, 22% (w/v) PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |