6CIG

CRYSTAL STRUCTURE ANALYSIS OF SELENOMETHIONINE SUBSTITUTED ISOFLAVONE O-METHYLTRANSFERASE

Replaces:  1FPX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	105
Detector technology	CCD
Collection date	1999-12-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97460
Spacegroup name	C 1 2 1
Unit cell lengths	145.810, 50.240, 63.740
Unit cell angles	90.00, 106.76, 90.00

Refinement procedure

Resolution	39.280 - 1.650
R-factor	0.1475
Rwork	0.146
R-free	0.17390
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.585
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.034	0.300
Number of reflections	52130
<I/σ(I)>	15.6
Completeness [%]	97.6	95.2
Redundancy	6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.25	288	Protein in 25 mM HEPES (pH 7.5), 100 mM NaCl, 1 mM DTT was mixed at 1:1 ratio with the crystallization buffer 17% (w/v) PEG 8000, 0.05 M TAPS (pH 8.25), 0.35 M lithium sulfate, 2 mM DTT
1	VAPOR DIFFUSION, HANGING DROP	8.25	288	Protein in 25 mM HEPES (pH 7.5), 100 mM NaCl, 1 mM DTT was mixed at 1:1 ratio with the crystallization buffer 17% (w/v) PEG 8000, 0.05 M TAPS (pH 8.25), 0.35 M lithium sulfate, 2 mM DTT
1	VAPOR DIFFUSION, HANGING DROP	8.25	288	Protein in 25 mM HEPES (pH 7.5), 100 mM NaCl, 1 mM DTT was mixed at 1:1 ratio with the crystallization buffer 17% (w/v) PEG 8000, 0.05 M TAPS (pH 8.25), 0.35 M lithium sulfate, 2 mM DTT