7MXG

PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800

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	P 21 21 2
Unit cell lengths	98.407, 138.451, 178.452
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	109.390 - 2.395
R-factor	0.2297
Rwork	0.227
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mxa
RMSD bond length	0.008
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	109.390	2.520
High resolution limit [Å]	2.390	2.390
Rmerge	0.082	0.690
Rpim	0.042	0.284
Number of reflections	96383	13880
<I/σ(I)>	12.5
Completeness [%]	99.8
Redundancy	6.5

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.