9MGQ

Crystal structure of PRMT5:MEP50 in complex with sinefungin and compound 47

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	I 2 2 2
Unit cell lengths	101.660, 137.700, 178.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.000 - 1.850
R-factor	0.202
Rwork	0.199
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	108.910	108.910	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.095	0.037	1.595
Rpim	0.041	0.016	0.668
Number of reflections	74746	5563	142
<I/σ(I)>	14.1	39.6	1.5
Completeness [%]	94.4	99.3
Redundancy	6.6		6.7
CC(1/2)	0.999	0.999	0.057

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		283	25% PEG 3350, 0.1 M Bis-Tris (pH 5.5), 0.2 M ammonium sulfate