2YFJ
Crystal structure of Biphenyl dioxygenase variant RR41 with dibenzofuran
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 |
| Collection date | 2005-07-21 |
| Detector | MARRESEARCH MX-300 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.979, 278.125, 92.956 |
| Unit cell angles | 90.00, 117.65, 90.00 |
Refinement procedure
| Resolution | 138.680 - 2.150 |
| R-factor | 0.20509 |
| Rwork | 0.204 |
| R-free | 0.23312 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xr8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.920 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.550 |
| Number of reflections | 210175 | |
| <I/σ(I)> | 16.02 | 2 |
| Completeness [%] | 93.0 | 80 |
| Redundancy | 4.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | PEG 5000 MME AND PIPES PH 6.0 |
