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 |