2VRC
Crystal structure of the Citrobacter sp. triphenylmethane reductase complexed with NADP(H)
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 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.957, 76.954, 272.826 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.360 - 2.500 |
R-factor | 0.192 |
Rwork | 0.190 |
R-free | 0.23900 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.391 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.050 | 0.180 |
Number of reflections | 56316 | |
<I/σ(I)> | 42.2 | 8.45 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.2 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.3M NAH2PO4,1.2M KH2PO4,0.2M NACL, 0.1M IMIDAZOLE(PH 8.0) |