1ZGD
Chalcone Reductase Complexed With NADP+ at 1.7 Angstrom Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2002-06-26 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1808 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.458, 85.819, 103.814 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.230 - 1.700 |
R-factor | 0.208 |
Rwork | 0.208 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | human type III 3a-hydroxysteroid dehydrogenase (pdb id: 1IHI) |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.230 | 1.810 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 68162 | |
Completeness [%] | 93.0 | 80.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | PEG 8000, Magnesium Chloride, TAPS, Glycerol, DTT, pH 8.5, temperature 298K, VAPOR DIFFUSION, HANGING DROP |