5JLB

Crystal structure of SETD2 bound to histone H3.3 K36I 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	2015-06-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	60.593, 76.844, 77.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.516 - 1.500
R-factor	0.1655
Rwork	0.164
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h12
RMSD bond length	0.005
RMSD bond angle	0.914
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	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.078	0.051	0.754
Rmeas	0.082
Rpim	0.024
Total number of observations	541322
Number of reflections	58483
<I/σ(I)>	13.7
Completeness [%]	100.0	99.8	100
Redundancy	9.3	12.1	7.2

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