6N3G

Crystal structure of histone lysine methyltransferase SmyD2 in complex with polyethylene glycol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 4
Unit cell lengths	151.840, 151.840, 53.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.920 - 2.430
R-factor	0.1772
Rwork	0.175
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kjk
RMSD bond length	0.011
RMSD bond angle	1.313
Data reduction software	XDS (VERSION Jun 1, 2017 BUILT=20170923)
Data scaling software	Aimless (0.6.2)
Phasing software	PHENIX (1.11.1-2575)
Refinement software	PHENIX (1.11.1-2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.367	2.718
High resolution limit [Å]	2.430	2.430
Rpim	0.096	0.538
Number of reflections	14389	718
<I/σ(I)>	10.3
Completeness [%]	94.8	72.2
Redundancy	14.2
CC(1/2)	0.993	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	PEG3350, Ethanol, Water, 1 M Tris