7MXN

PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	95
Detector technology	PIXEL
Collection date	2017-10-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	100.769, 137.811, 178.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	109.190 - 2.550
R-factor	0.2383
Rwork	0.236
R-free	0.27670
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7mx7
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER (2.11.7)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	109.190	2.680
High resolution limit [Å]	2.550	2.550
Rmerge	0.073	0.475
Rmeas		0.514
Rpim	0.043	0.194
Number of reflections	41147	5958
<I/σ(I)>	13.3	2.6
Completeness [%]	99.9
Redundancy	6.6	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		286	Crystallization of full-length human PRMT5/MEP50 complexed with cofactor site inhibitors was performed at 13 degrees Celsius by hanging-drop vapor-diffusion methods. 2.5 ul of a solution of 5:1 molar ratio of inhibitor compound to PRMT5/MEP50 complex (13 mg/mL) was mixed with 2.5 ul of reservoir solution containing 13-15% (w/v) PEG3350, 0.1M MES, pH 6.5-7.5, 0.25M NaCl, and 20% (v/v) ethylene glycol. Microseeding from initial crystals produced crystals suitable for data collection.