6MBJ

SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, P21 Crystal Form

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	2018-03-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	60.351, 176.168, 66.577
Unit cell angles	90.00, 92.86, 90.00

Refinement procedure

Resolution	39.068 - 1.780
R-factor	0.1998
Rwork	0.199
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3smt
RMSD bond length	0.003
RMSD bond angle	0.564
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.070	1.850
High resolution limit [Å]	1.780	1.780
Rmerge	0.164
Rpim	0.041	0.436
Number of reflections	124387	10380
<I/σ(I)>	14.5	1
Completeness [%]	94.5	78.9
Redundancy	13.6	8
CC(1/2)		0.463

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	292	0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4,000