3UCF
Crystal structure of a small-chain dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.360, 122.890, 63.140 |
| Unit cell angles | 90.00, 111.09, 90.00 |
Refinement procedure
| Resolution | 42.524 - 2.347 |
| R-factor | 0.1823 |
| Rwork | 0.181 |
| R-free | 0.20990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o5i |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.667 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.490 |
| High resolution limit [Å] | 2.347 | 2.350 |
| Rmerge | 0.182 | 0.709 |
| Number of reflections | 34318 | |
| <I/σ(I)> | 10.57 | 2.74 |
| Completeness [%] | 97.0 | 94.3 |
| Redundancy | 3.72 | 3.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M ammonium acetate, 10% PEG 3350, 0.2 M BIS-TRIS pH 6.5, Protein concentration: 8 mg/mL, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
