7S1Q

PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (Compound 9)

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	2020-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	103.342, 137.646, 178.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.690 - 2.780
R-factor	0.2107
Rwork	0.209
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s0u
RMSD bond length	0.002
RMSD bond angle	0.472
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	2.800
High resolution limit [Å]	2.750	2.750
Number of reflections	28959	970
<I/σ(I)>	11.2	1.3
Completeness [%]	90.0	60.7
Redundancy	2.8
CC(1/2)	0.990	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		281	100 mM Sodium Citrate pH 5, 18% PEG 4000, 150 mM Sodium Acetate