9MGP

Crystal structure of PRMT5:MEP50 in complex with MTA and compound 46a

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	I 2 2 2
Unit cell lengths	99.140, 137.690, 178.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.440 - 2.670
R-factor	0.2226
Rwork	0.220
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.675
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]	45.100	2.800
High resolution limit [Å]	2.670	2.670
Rmerge	0.085	0.707
Rmeas	0.093	0.770
Rpim	0.036	0.302
Total number of observations		29550
Number of reflections	35013	4592
<I/σ(I)>	14.9	2.2
Completeness [%]	99.9
Redundancy	6.7	6.4
CC(1/2)	0.999	0.934

Crystallization Conditions

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