5AEU
Crystal structure of II9 variant of Biphenyl dioxygenase from Burkholderia xenovorans LB400
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-07-30 |
Detector | MARRESEARCH |
Spacegroup name | H 3 |
Unit cell lengths | 211.894, 211.894, 168.443 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.560 - 2.490 |
R-factor | 0.19568 |
Rwork | 0.193 |
R-free | 0.25405 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xr8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.293 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 129.100 | 2.550 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmerge | 0.100 | 0.530 |
Number of reflections | 97519 | |
<I/σ(I)> | 9.3 | 2.6 |
Completeness [%] | 99.4 | 99.9 |
Redundancy | 3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | PEG8000, 50MM MES PH 6.0, 6% GLYCEROL AND 50 MM NACL |