4DQX
Crystal structure of a short chain dehydrogenase from Rhizobium etli CFN 42
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.245, 64.595, 113.353 |
| Unit cell angles | 90.00, 96.72, 90.00 |
Refinement procedure
| Resolution | 44.810 - 2.000 |
| R-factor | 0.16117 |
| Rwork | 0.159 |
| R-free | 0.19777 |
| Structure solution method | PHenix_autosol |
| Starting model (for MR) | None |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.087 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| 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 | 0.090 | 0.380 |
| Number of reflections | 77843 | |
| <I/σ(I)> | 5 | 3 |
| Completeness [%] | 98.7 | 97.5 |
| Redundancy | 6.6 | 97.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2M MgCl2, 0.1M Hepes, 22% Poly(acrylic sodium salt)5100, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
