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 |
