4IJ8

Crystal structure of the complex of SETD8 with SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-25
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 61 2 2
Unit cell lengths	101.439, 101.439, 140.799
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.960 - 2.000
R-factor	0.1769
Rwork	0.176
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zkk
RMSD bond length	0.015
RMSD bond angle	1.481
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.849	46.928	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.058	0.942
Total number of observations		20016	93086
Number of reflections	29619
<I/σ(I)>	19.7	9.2	0.8
Completeness [%]	100.0	99.7	100
Redundancy	21.6	18.3	22

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	1.2 M sodium citrate, 0.1 M HEPES, 10-fold excess SAM, pH 7.5, VAPOR DIFFUSION, temperature 291K