3C7C
A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH-L-Arginine)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-26 |
| Wavelength(s) | 0.97854 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 95.000, 95.000, 120.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.600 - 3.100 |
| R-factor | 0.19729 |
| Rwork | 0.195 |
| R-free | 0.24063 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.979 |
| Data reduction software | Integrate ((XDS)) |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.162 | 0.346 |
| Number of reflections | 10428 | |
| <I/σ(I)> | 13 | 5.2 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM MES pH 7.0, 1.15 M Na-citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
