6CKC

Structure of PRMT5:MEP50 in complex with LLY-283, a potent and selective inhibitor of PRMT5, with antitumor activity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-20
Detector	RAYONIX MX300HE
Wavelength(s)	0.9798
Spacegroup name	I 2 2 2
Unit cell lengths	102.785, 139.077, 178.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.720 - 2.800
R-factor	0.18
Rwork	0.178
R-free	0.21400
RMSD bond length	0.010
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.000	2.950
High resolution limit [Å]	2.800	2.800
Number of reflections	31922
<I/σ(I)>	13.3
Completeness [%]	99.9
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	16% PEG 3350, 200mM Magnesium Chloride, 100mM Bis-Tris pH 5.5