3JYQ
Quinate dehydrogenase from Corynebacterium glutamicum in complex with shikimate and 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] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-05 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.920, 63.390, 35.670 |
| Unit cell angles | 90.00, 94.34, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.160 |
| R-factor | 0.1497 |
| Rwork | 0.149 |
| R-free | 0.17441 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jyo |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.200 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.088 | 0.362 |
| Number of reflections | 88626 | |
| <I/σ(I)> | 18.36 | 2.33 |
| Completeness [%] | 96.1 | 92.3 |
| Redundancy | 3.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 24 % PEG 6000, 400 mM calcium chloride, 100 mM Tris/HCl, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
