2YFL
Crystal Structure of Biphenyl dioxygenase variant RR41 with 2-chloro 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 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.556, 275.982, 92.057 |
| Unit cell angles | 90.00, 117.46, 90.00 |
Refinement procedure
| Resolution | 137.360 - 2.600 |
| R-factor | 0.2182 |
| Rwork | 0.215 |
| R-free | 0.28023 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xr8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.913 |
| 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] | 100.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.140 | 0.510 |
| Number of reflections | 97588 | |
| <I/σ(I)> | 11.9 | 1.5 |
| Completeness [%] | 80.0 | 49.4 |
| Redundancy | 3.1 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | PEG 5000, PIPES PH 6.0 |
