3OKF
2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (aroB) from Vibrio cholerae
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 | 2010-08-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.140, 80.140, 262.965 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.620 - 2.500 |
R-factor | 0.18379 |
Rwork | 0.182 |
R-free | 0.22280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3clh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.295 |
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 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.078 | 0.517 |
Number of reflections | 30764 | |
<I/σ(I)> | 19.7 | 2.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | Protein: 3.5 mGr/mL 0.01M Tris-HCL pH 8.3, 1mM Dehydroquinate (DHQ); Screen: Classics II (B6), 0.49M Sodium phosphate, 0.91M Potassium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |