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 |
