6WAD

Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	I 41
Unit cell lengths	94.068, 94.068, 109.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.080 - 2.450
R-factor	0.1944
Rwork	0.193
R-free	0.22630
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5wcf
RMSD bond length	0.008
RMSD bond angle	1.493
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.098	0.049	0.895
Rmeas	0.108	0.054	1.037
Rpim	0.045	0.022	0.515
Total number of observations	92167
Number of reflections	17275	893	820
<I/σ(I)>	10.3
Completeness [%]	99.8	99.7	99.2
Redundancy	5.3	5.7	3.6
CC(1/2)		0.998	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG 3350 20%, 0.2 M di-Sodium Tartrate