3LWZ
1.65 Angstrom Resolution Crystal Structure of Type II 3-Dehydroquinate Dehydratase (aroQ) from Yersinia pestis
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 | 2010-02-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | H 3 |
Unit cell lengths | 90.587, 90.587, 216.500 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.380 - 1.650 |
R-factor | 0.15068 |
Rwork | 0.149 |
R-free | 0.18186 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uqr |
RMSD bond length | 0.012 |
RMSD bond angle | 1.319 |
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 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.057 | 0.367 |
Number of reflections | 79780 | |
<I/σ(I)> | 20.4 | 2.6 |
Completeness [%] | 99.9 | 98.5 |
Redundancy | 3.8 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | Protein solution: 5.3 mg/mL, 0.5M Sodium chloride, 0.01M TRIS-HCl pH 8.3; Screen solution: ANL-2, D1, 0.17M Sodim Acetate, 0.085M TRIS HCl pH 8.5, 25.5% PEG 4000, 15% Glycerol., VAPOR DIFFUSION, SITTING DROP, temperature 295K |