4CQM
Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD and NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-20 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.501, 238.411, 87.688 |
| Unit cell angles | 90.00, 94.18, 90.00 |
Refinement procedure
| Resolution | 49.252 - 2.339 |
| R-factor | 0.2049 |
| Rwork | 0.203 |
| R-free | 0.23550 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.645 |
| Data reduction software | XDS |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.250 | 2.480 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.100 | 0.660 |
| Number of reflections | 283379 | |
| <I/σ(I)> | 5.5 | 1 |
| Completeness [%] | 94.9 | 91.1 |
| Redundancy | 6.6 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 18% PEG3350, 0.4 M AMMONIUM ACETATE, 0.1 M SODIUM ACETATE PH 5.0 |
