4CQL
Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-01 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.150, 237.110, 87.350 |
| Unit cell angles | 90.00, 94.52, 90.00 |
Refinement procedure
| Resolution | 49.776 - 2.850 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pd6 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.487 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.780 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.140 | 0.580 |
| Number of reflections | 75354 | |
| <I/σ(I)> | 6.6 | 2.1 |
| Completeness [%] | 91.9 | 95.1 |
| Redundancy | 2.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 15% PEG3350, 0.4 M AMMONIUM ACETATE, 0.1 M SODIUM ACETATE PH 5.0 |
