1ZGA

Crystal structure of isoflavanone 4'-O-methyltransferase complexed with (+)-6a-hydroxymaackiain

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	CCD
Collection date	2004-05-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97897
Spacegroup name	P 43 2 2
Unit cell lengths	71.217, 71.217, 188.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.450 - 2.350
R-factor	0.209
Rwork	0.209
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	21559
<I/σ(I)>	23.5	5
Completeness [%]	99.9	100
Redundancy	8.3	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	277.16	PEG 8000, amonium acetate, DTT, pH 5.5, temperature 277.16K, VAPOR DIFFUSION