2XSO
CRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURKHOLDERIA XENOVORANS LB400
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 133.472, 133.585, 133.229 |
| Unit cell angles | 102.51, 104.99, 102.75 |
Refinement procedure
| Resolution | 125.000 - 2.200 |
| R-factor | 0.217 |
| Rwork | 0.215 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xr8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.196 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 125.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.350 |
| Number of reflections | 377867 | |
| <I/σ(I)> | 8.9 | 2 |
| Completeness [%] | 90.0 | 64.3 |
| Redundancy | 2.4 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | PEG 8K, PIPES BUFFER PH 6.5 |
