1ZHF

Crystal structure of selenomethionine substituted isoflavanone 4'-O-methyltransferase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-12
Detector	MARRESEARCH
Wavelength(s)	0.97932, 0.97942, 0.9855
Spacegroup name	P 43 2 2
Unit cell lengths	71.355, 71.355, 188.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.700 - 2.500
R-factor	0.204
Rwork	0.204
R-free	0.23700
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.660
High resolution limit [Å]	2.500	2.500
Number of reflections	19380
<I/σ(I)>	7.46
Completeness [%]	99.6	99.4

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