2JL1
Structural insight into bioremediation of triphenylmethane dyes by Citrobacter sp. triphenylmethane reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6C1 |
Synchrotron site | PAL/PLS |
Beamline | 6C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-12 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 59.262, 140.384, 76.096 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.960 |
R-factor | 0.182 |
Rwork | 0.179 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vrb |
RMSD bond length | 0.013 |
RMSD bond angle | 1.379 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.080 | 0.400 |
Number of reflections | 22401 | |
<I/σ(I)> | 28.85 | 2.81 |
Completeness [%] | 95.9 | 83.3 |
Redundancy | 11.7 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.05 M KH2PO4, 18% PEG8000, 10 MM NADP |