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 |