9N3Q

Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 51

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	97.410, 136.450, 178.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.710 - 2.540
R-factor	0.2337
Rwork	0.232
R-free	0.26670
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.003
RMSD bond angle	0.633
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.710	2.630
High resolution limit [Å]	2.540	2.540
Rmerge	0.183	0.985
Number of reflections	44771	256
<I/σ(I)>	11.5	2.3
Completeness [%]	55.6	2.8
Redundancy	13.4	11.6
CC(1/2)	0.998	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	291	10% PEG 4000, 0.1 M sodium citrate (pH 6.0), 0.2 M magnesium chloride, 1 mM methylthioadenonsine