5EMK

Crystal structure of PRMT5:MEP50 with Compound 9 and sinefungin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-08-03
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.07816
Spacegroup name	I 2 2 2
Unit cell lengths	102.790, 137.750, 178.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.490 - 2.520
R-factor	0.2035
Rwork	0.200
R-free	0.26180
RMSD bond length	0.010
RMSD bond angle	1.492
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.1.27)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.630	54.630	2.590
High resolution limit [Å]	2.520	11.270	2.520
Rmerge	0.055	0.021	0.674
Rpim	0.025	0.010	0.310
Total number of observations	239412	2513	17734
Number of reflections	42869
<I/σ(I)>	19.4	54.5	2.4
Completeness [%]	99.4	98.6	98.7
Redundancy	5.6	4.8	5.7
CC(1/2)	0.999	0.999	0.884

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