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