5EMJ

Crystal structure of PRMT5:MEP50 with Compound 8 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	2012-07-19
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	104.240, 138.830, 179.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.050 - 2.273
R-factor	0.2115
Rwork	0.209
R-free	0.26590
RMSD bond length	0.010
RMSD bond angle	1.442
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.20)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.415	69.415	2.330
High resolution limit [Å]	2.273	10.170	2.270
Rmerge		0.017	0.781
Rmeas	0.059
Rpim	0.026	0.009	0.387
Total number of observations	299240	2991	21908
Number of reflections	59262
<I/σ(I)>	19.9	68.4	2.1
Completeness [%]	99.0	93.2	99.6
Redundancy	5	4.3	5.1

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