6BQE
Low-resolution structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa in space group P4322.
Replaces: 5JOTExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-09 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 95.708, 95.708, 187.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.729 - 3.200 |
R-factor | 0.2393 |
Rwork | 0.237 |
R-free | 0.28810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.405 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.880 | 3.420 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.339 | 0.764 |
Rmeas | 0.926 | |
Rpim | 0.224 | 0.516 |
Number of reflections | 15009 | 2652 |
<I/σ(I)> | 5 | 1.9 |
Completeness [%] | 99.7 | 100 |
Redundancy | 5.2 | 5.3 |
CC(1/2) | 0.944 | 0.590 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 291 | PEG 3350, 0.2 M ammonium acetate, 0.1 M TRIS pH 8.2 |