4EUE
Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase in complex with NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.205, 45.950, 85.431 |
| Unit cell angles | 90.00, 90.74, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.1997 |
| Rwork | 0.198 |
| R-free | 0.22910 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.014 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.123 | 0.459 |
| Number of reflections | 29209 | |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 7.3 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 200mM magnesium acetate tetrahydrate, 20% PEG 3350, pH 7.0, temperature 289K, VAPOR DIFFUSION, SITTING DROP |
