7S1S

PRMT5/MEP50 crystal structure with MTA and MRTX-1719 bound

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	2021-03-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	103.140, 138.095, 178.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.640 - 2.620
R-factor	0.2099
Rwork	0.209
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s0u
RMSD bond length	0.002
RMSD bond angle	0.498
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	2.640
High resolution limit [Å]	2.600	2.600
Number of reflections	34297	1083
<I/σ(I)>	11.3	1.4
Completeness [%]	88.2
Redundancy	2.7
CC(1/2)	0.990	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		281	100 mM Sodium Citrate pH 5.4, 11% PEG 4000, 50 mM Sodium Acetate