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 |