5DOZ
Crystal structure of JamJ enoyl reductase (NADPH bound)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 31 |
| Unit cell lengths | 110.702, 110.702, 92.826 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.590 - 2.260 |
| R-factor | 0.18234 |
| Rwork | 0.180 |
| R-free | 0.21718 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dov |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.600 | |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.073 | 0.609 |
| Number of reflections | 59866 | |
| <I/σ(I)> | 12.3 | 1.4 |
| Completeness [%] | 99.6 | |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 3350, 0.25 M sodium acetate, 100 mM Bis Tris propane pH 8.5 |
