1JEP

Chalcone Isomerase Complexed with 4'-hydroxyflavanone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2001-06-07
Detector	MARRESEARCH
Wavelength(s)	0.970
Spacegroup name	P 65 2 2
Unit cell lengths	89.664, 89.664, 351.181
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.800 - 2.100
Rwork	0.206
R-free	0.23200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	chi apoenzyme
RMSD bond length	0.020
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.800	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.061	0.617
Number of reflections	49786
<I/σ(I)>	20.6	2.4
Completeness [%]	98.9	99.3
Redundancy	13.4	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	278	glycerol, ammonium sulfate, PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K