3N71

Crystal structure of cardiac specific histone methyltransferase SmyD1

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.28287, 1.27823, 1.28268
Spacegroup name	H 3
Unit cell lengths	170.500, 170.500, 57.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.209
Rwork	0.209
R-free	0.25600
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.083	0.567
Number of reflections	27582
<I/σ(I)>	11.6	2
Completeness [%]	99.9	100
Redundancy	5	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	12% PEG8000, 2.5% glycerol, 200 mM NDSB-201, 100 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K