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 |
