9N3P

Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 30

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-18
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97626
Spacegroup name	I 2 2 2
Unit cell lengths	103.000, 138.300, 177.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.570 - 2.510
R-factor	0.1952
Rwork	0.194
R-free	0.22340
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.484
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]	54.630	2.600
High resolution limit [Å]	2.510	2.510
Rmerge	0.131	1.404
Rpim		0.415
Number of reflections	43689	4528
<I/σ(I)>	15.3	1.8
Completeness [%]	100.0	100
Redundancy	13.9	13.3
CC(1/2)	0.999	0.797

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 methylthioadenosine