5V21

Crystal structure of human SETD2 SET-domain in complex with H3K36M peptide and SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-06
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.493, 76.316, 77.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.528 - 2.415
R-factor	0.2073
Rwork	0.204
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h12
RMSD bond length	0.016
RMSD bond angle	1.415
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.510
High resolution limit [Å]	2.420	2.420
Rmerge	0.100	0.476
Number of reflections	13529	1280
<I/σ(I)>	14.1	3.2
Completeness [%]	98.1
Redundancy	5.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M KSCN, 24% (v/v) PEG 2000 MME