6MBL

SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, Second P212121 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	2018-03-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	56.557, 92.830, 111.635
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.299 - 2.197
R-factor	0.1846
Rwork	0.182
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3smt
RMSD bond length	0.004
RMSD bond angle	0.683
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]	48.300	2.270
High resolution limit [Å]	2.190	2.190
Rpim	0.066	0.548
Number of reflections	30434	2920
<I/σ(I)>	14.1	1.5
Completeness [%]	99.5	96.7
Redundancy	10.6	4.7
CC(1/2)		0.402

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	292	0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350