3C7D
A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH-Pyruvate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-26 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 96.000, 96.000, 117.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.750 - 2.500 |
| R-factor | 0.25441 |
| Rwork | 0.253 |
| R-free | 0.27228 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c7a |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.035 |
| Data reduction software | Integrate ((XDS)) |
| Data scaling software | XSCALE (XDS)) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.500 | 2.600 |
| Rmerge | 0.062 | 0.360 |
| Number of reflections | 17525 | |
| <I/σ(I)> | 26 | 5.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.2 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 285 | 100 mM MES pH 7.0, 1.15 M Na-citrate, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
