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 |