5AEW
Crystal structure of II9 variant of Biphenyl dioxygenase from Burkholderia xenovorans LB400 in complex with biphenyl
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 | P 1 |
| Unit cell lengths | 132.767, 133.191, 133.965 |
| Unit cell angles | 102.31, 102.54, 104.54 |
Refinement procedure
| Resolution | 23.340 - 1.880 |
| R-factor | 0.22675 |
| Rwork | 0.225 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xr8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.088 |
| 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 | 23.340 |
| High resolution limit [Å] | 1.870 | 1.880 |
| Rmerge | 0.100 | 0.400 |
| Number of reflections | 634861 | |
| <I/σ(I)> | 21 | 3.3 |
| Completeness [%] | 94.0 | 94 |
| Redundancy | 4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | PEG8000, 50MM MES PH 6.0, GLYCEROL 6% AND 50MM NACL |
