3WGH
Crystal structure of RSP in complex with beta-NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.793, 75.123, 59.208 |
Unit cell angles | 90.00, 94.37, 90.00 |
Refinement procedure
Resolution | 22.610 - 2.050 |
R-factor | 0.1801 |
Rwork | 0.177 |
R-free | 0.23676 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 3WG9 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.714 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.053 | 0.434 |
Number of reflections | 30614 | |
<I/σ(I)> | 26.7 | 2.2 |
Completeness [%] | 98.1 | 88.5 |
Redundancy | 4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.16M zinc acetate, 0.08M sodium cacodylate, 14.4% PEG 8000, 20% glycerol, 5mM alpha-NADH, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |