3IQD
Structure of Octopine-dehydrogenase in complex with NADH and Agmatine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 96.200, 96.200, 117.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.450 - 2.800 |
| R-factor | 0.20505 |
| Rwork | 0.202 |
| R-free | 0.25698 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c7c |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.074 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.330 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.103 | 0.363 |
| Number of reflections | 11368 | |
| <I/σ(I)> | 4.5 | 4.5 |
| Completeness [%] | 90.0 | 92.5 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM sodium citrate, 30% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
