3O3R
Crystal Structure of AKR1B14 in complex with NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-01-07 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.666, 69.146, 87.833 |
Unit cell angles | 90.00, 96.47, 90.00 |
Refinement procedure
Resolution | 28.500 - 1.860 |
R-factor | 0.1883 |
Rwork | 0.185 |
R-free | 0.24890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pwl |
RMSD bond length | 0.023 |
RMSD bond angle | 1.933 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.930 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.048 | 0.280 |
Number of reflections | 49358 | |
<I/σ(I)> | 13.5 | 2.3 |
Completeness [%] | 97.7 | 90.6 |
Redundancy | 3.48 | 3.02 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M HEPES pH 7.5, 20% polyethylene glycol 4000, 10% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 295K |