7S1R

PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (compound (M)-31)

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	2020-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	I 2 2 2
Unit cell lengths	103.567, 138.372, 178.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.810 - 2.100
R-factor	0.1815
Rwork	0.179
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s0u
RMSD bond length	0.011
RMSD bond angle	1.017
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.000	2.000
Number of reflections	65436	1905
<I/σ(I)>	13.9
Completeness [%]	87.2
Redundancy	2.9
CC(1/2)	0.990	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		281	100 mM Sodium Citrate pH 5, 9% PEG 4000, 150 mM Sodium Acetate