6OX1

SETD3 in Complex with an Actin Peptide with Target Histidine Partially Methylated

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	60.308, 175.865, 66.967
Unit cell angles	90.00, 92.38, 90.00

Refinement procedure

Resolution	31.268 - 1.949
R-factor	0.1708
Rwork	0.170
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mbj
RMSD bond length	0.006
RMSD bond angle	0.743
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.270	2.020
High resolution limit [Å]	1.949	1.949
Rmerge	0.146	0.822
Rpim	0.083	0.499
Number of reflections	99091	9993
<I/σ(I)>	11.7	2.9
Completeness [%]	98.3	99.4
Redundancy	3.7	3.3
CC(1/2)		0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	292	0.2 M ammonium acetate, 0.1 M sodium citrate tribasic dihydrate pH 5.6 and 30% (w/v) polyethylene glycol 4000