3WFI
The crystal structure of D-mandelate dehydrogenase
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 | 2011-10-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.800, 40.680, 88.940 |
| Unit cell angles | 90.00, 105.47, 90.00 |
Refinement procedure
| Resolution | 36.750 - 1.997 |
| R-factor | 0.18696 |
| Rwork | 0.185 |
| R-free | 0.22372 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ew2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.228 |
| 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] | 37.900 | 2.110 |
| High resolution limit [Å] | 1.997 | 2.000 |
| Number of reflections | 37418 | |
| Completeness [%] | 93.1 | 84.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.085M HEPES-Na (pH 7.5), 0.17M ammonium acetate, 22.5% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
