5JJY

Crystal structure of SETD2 bound to histone H3.3 K36M peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9504
Spacegroup name	P 21 21 21
Unit cell lengths	60.204, 76.730, 77.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.385 - 2.053
R-factor	0.1801
Rwork	0.178
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h12
RMSD bond length	0.004
RMSD bond angle	0.709
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.126	0.053	0.967
Rmeas	0.128
Rpim	0.044
Total number of observations	206526
Number of reflections	23012
<I/σ(I)>	7
Completeness [%]	100.0	99.5	100
Redundancy	9	8.3	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.2 M KSCN, 0.1 M Bis-Tris Propane, 20% PEG3350