3UCE
Crystal structure of a small-chain dehydrogenase in complex with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-07-18 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99993 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.630, 96.260, 72.110 |
| Unit cell angles | 90.00, 103.99, 90.00 |
Refinement procedure
| Resolution | 39.201 - 1.798 |
| R-factor | 0.1773 |
| Rwork | 0.175 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o5i |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.096 |
| 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] | 40.000 | 1.910 |
| High resolution limit [Å] | 1.798 | 1.800 |
| Rmerge | 0.132 | 0.609 |
| Number of reflections | 84971 | |
| <I/σ(I)> | 10.54 | 2.41 |
| Completeness [%] | 99.1 | 97 |
| Redundancy | 3.4 | 3.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M Bis-Tris pH 6.5, 18% PEG-5000, Protein concentration: 8 mg/mL, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
