3JYO
Quinate dehydrogenase from Corynebacterium glutamicum in complex with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-02-06 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.8423 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.450, 63.280, 36.340 |
| Unit cell angles | 90.00, 94.46, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.000 |
| R-factor | 0.16482 |
| Rwork | 0.163 |
| R-free | 0.19421 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nlo |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.764 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.065 | 0.615 |
| Number of reflections | 137551 | |
| <I/σ(I)> | 34 | 2.05 |
| Completeness [%] | 93.1 | 85.9 |
| Redundancy | 3.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 293 | 1.6 M tri-sodium citrate, 0 up to 62.5 mM cobalt chloride, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
