3WFJ
The complex structure of D-mandelate dehydrogenase with NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-31 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 115.650, 103.440, 119.740 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 19.970 - 2.800 |
R-factor | 0.24215 |
Rwork | 0.239 |
R-free | 0.30582 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wfi |
RMSD bond length | 0.021 |
RMSD bond angle | 2.278 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 68132 | |
Completeness [%] | 98.0 | 98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1M Tris-HCl (pH 7.0), 0.2M calcium acetate, 20% PEG 3350, 10mM NADH, VAPOR DIFFUSION, HANGING DROP, temperature 298K |