6OX0

SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor

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	2018-04-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	60.265, 175.194, 66.031
Unit cell angles	90.00, 92.80, 90.00

Refinement procedure

Resolution	36.486 - 1.755
R-factor	0.2065
Rwork	0.206
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mbj
RMSD bond length	0.002
RMSD bond angle	0.466
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]	36.490	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.135	1.695
Rpim	0.033	0.444
Number of reflections	132568	12128
<I/σ(I)>	19.7	1.9
Completeness [%]	98.0	89.8
Redundancy	15.9	12.6
CC(1/2)		0.627

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