7UOH

PRMT5/MEP50 crystal structure with MTA and an achiral, class 1, non-atropisomeric inhibitor bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	I 2 2 2
Unit cell lengths	104.638, 138.100, 179.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.590 - 2.700
R-factor	0.1985
Rwork	0.197
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s1r
RMSD bond length	0.002
RMSD bond angle	0.511
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rpim	0.050	0.490
Number of reflections	35686	1727
<I/σ(I)>	13.4
Completeness [%]	99.7	97.9
Redundancy	6.3
CC(1/2)	0.999	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	11 %w/v PEG 4K 0.1 M Na3 Cititrate 5 pH 0.05 M Na Acetate