4IPT
The crystal structure of a short-chain dehydrogenases/reductase (ethylated) from Veillonella parvula DSM 2008
Replaces: 3R14Experimental 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 | 2010-11-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.681, 60.758, 68.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.315 - 1.546 |
| R-factor | 0.1882 |
| Rwork | 0.187 |
| R-free | 0.21970 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.038 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.083 | 0.667 |
| Number of reflections | 31918 | |
| <I/σ(I)> | 45 | 2.7 |
| Completeness [%] | 98.7 | 99.9 |
| Redundancy | 6.7 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.05M CACL2, 0.1M BIS-TRIS:HCL, 30% (V/V) PEG MME 550, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
