3O1N
1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 |
Unit cell lengths | 45.433, 46.476, 55.790 |
Unit cell angles | 104.23, 97.50, 98.70 |
Refinement procedure
Resolution | 26.620 - 1.030 |
R-factor | 0.14132 |
Rwork | 0.140 |
R-free | 0.16161 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l2i |
RMSD bond length | 0.012 |
RMSD bond angle | 1.464 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.050 |
High resolution limit [Å] | 1.030 | 1.030 |
Rmerge | 0.068 | 0.333 |
Number of reflections | 196964 | |
<I/σ(I)> | 15 | 3.7 |
Completeness [%] | 92.7 | 84.9 |
Redundancy | 4.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | Protein: 7.5 mg/mL, 0.5M Sodium Chloride, 0.01M Tris-HCL (pH 8.3); Screen: Classics II (H1), 0.2M Magnesium chloride, 0.1M Tris, pH 8.5, 25% (w/v) PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K |