6OX3

SETD3 in Complex with an Actin Peptide with His73 Replaced with Lysine

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	2019-03-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	60.233, 175.748, 66.471
Unit cell angles	90.00, 92.39, 90.00

Refinement procedure

Resolution	36.644 - 1.785
R-factor	0.2085
Rwork	0.208
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mbj
RMSD bond length	0.004
RMSD bond angle	0.690
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.650	1.850
High resolution limit [Å]	1.785	1.785
Rmerge	0.253	0.983
Rpim	0.089	0.654
Number of reflections	127675	12113
<I/σ(I)>	9.2	1.7
Completeness [%]	98.4	93.6
Redundancy	7.1	2.5
CC(1/2)		0.419

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