4HNH
The crystal structure of a short-chain dehydrogenases/reductase (wide type) from Veillonella parvula DSM 2008 in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97923 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.219, 71.687, 65.016 |
| Unit cell angles | 90.00, 121.44, 90.00 |
Refinement procedure
| Resolution | 28.999 - 1.576 |
| R-factor | 0.1763 |
| Rwork | 0.175 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 3R14 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.055 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.104 | 0.523 |
| Number of reflections | 57582 | |
| <I/σ(I)> | 19.4 | 2.2 |
| Completeness [%] | 98.0 | 90.1 |
| Redundancy | 3.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.2M Sodium Chloride, 0.1M Bis-Tris:HCl, 25% (w/v) PEG3350, 10mM NADP, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
