5EMM

Crystal structure of PRMT5:MEP50 with Compound 15 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	2012-10-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	103.530, 138.180, 179.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.610 - 2.370
R-factor	0.2372
Rwork	0.234
R-free	0.29330
RMSD bond length	0.010
RMSD bond angle	1.412
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.20)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.646	89.646	2.430
High resolution limit [Å]	2.370	10.600	2.370
Rmerge		0.015	0.814
Rmeas	0.064
Rpim	0.028	0.008	0.407
Total number of observations	260251	2660	19315
Number of reflections	52316
<I/σ(I)>	19.4	66.2	2
Completeness [%]	99.8	96.6	99.4
Redundancy	5	4.2	5

Crystallization Conditions

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