3C7A
A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH)
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] | 298 |
Collection date | 2007-08-26 |
Wavelength(s) | 0.97854 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 99.816, 99.816, 126.513 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.23241 |
Rwork | 0.230 |
R-free | 0.27868 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.071 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | Auto-Rickshaw |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.160 | 0.380 |
Number of reflections | 39705 | |
<I/σ(I)> | 3 | |
Completeness [%] | 93.0 | 96.5 |
Redundancy | 5.1 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | 100 mM MES pH 7.0 and Na-citrate ranging from 1.0 to 1.2 M , VAPOR DIFFUSION, HANGING DROP, temperature 278K |