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 |