4X60

Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	103.670, 137.960, 179.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.750 - 2.350
R-factor	0.2046
Rwork	0.202
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.242
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.750	44.750	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.052	0.019	0.752
Rpim	0.026	0.011	0.379
Total number of observations	266192	2633	19666
Number of reflections	53483
<I/σ(I)>	21	66.7	2.5
Completeness [%]	99.6	95.4	99.4
Redundancy	5	4.2	5
CC(1/2)	0.999	0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	0.2 M Sodium acetate, 0.1 M Sodium citrate pH 6.1, 10% w/v PEG 4000