6LLH
Biphenyl-2,3-diol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2018-06-09 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 98.257, 89.793, 105.445 |
Unit cell angles | 90.00, 103.99, 90.00 |
Refinement procedure
Resolution | 36.590 - 1.990 |
R-factor | 0.1643 |
Rwork | 0.162 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2de5 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.599 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 1.790 | 2.000 |
Rmerge | 0.082 | |
Number of reflections | 121104 | 121194 |
<I/σ(I)> | 24 | |
Completeness [%] | 99.9 | |
Redundancy | 6.9 | |
CC(1/2) | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.05 M Bis-Tris pH 5.5, 0.1 M Ammonium Acetate, 12.5% w/v PEG 3350 |