4Y2H

Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and an aryl pyrazole inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97856
Spacegroup name	P 43
Unit cell lengths	99.970, 99.970, 89.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.740 - 2.370
R-factor	0.1842
Rwork	0.182
R-free	0.23150
RMSD bond length	0.010
RMSD bond angle	1.444
Data scaling software	Aimless (0.1.28)
Phasing software	REFMAC
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.740	27.740	2.430
High resolution limit [Å]	2.370	10.600	2.370
Rmerge	0.144	0.036	0.594
Rpim	0.073	0.018	0.371
Total number of observations	175169	1867	9279
Number of reflections	35874
<I/σ(I)>	10.5	28.9	2.2
Completeness [%]	99.9	95	99.8
Redundancy	4.9	4.6	3.5
CC(1/2)	0.991	0.998	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	MgCl, MES buffer pH 6.5, Isopropanol, PEG 4000