4RHC
Crystal structure of 3-Dehydroquinate dehydratase from Acinetobacter baumannii at 2.68 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2013-04-29 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.827, 133.243, 136.851 |
Unit cell angles | 90.00, 97.99, 90.00 |
Refinement procedure
Resolution | 38.380 - 2.680 |
R-factor | 0.2301 |
Rwork | 0.227 |
R-free | 0.28701 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lwz |
RMSD bond length | 0.012 |
RMSD bond angle | 1.827 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.500 | 2.780 |
High resolution limit [Å] | 2.680 | 2.680 |
Number of reflections | 50314 | |
<I/σ(I)> | 8.2 | 2 |
Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M Tris-HCL, 1M Ammonium Sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |