5FA5

Crystal Structure of PRMT5:MEP50 in complex with MTA and H4 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-07
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	102.050, 137.850, 178.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.220 - 2.340
R-factor	0.1792
Rwork	0.177
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gqb
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.11.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.220	89.220	2.700
High resolution limit [Å]	2.340	4.680	2.340
Rmerge	0.074	0.032	0.552
Rpim	0.031	0.014	0.228
Total number of observations	357014	43275	125363
Number of reflections	53238
<I/σ(I)>	17.2	45.7	3.1
Completeness [%]	100.0	99.9	100
Redundancy	6.7	6.3	6.8
CC(1/2)	0.999	0.999	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281	200 mM ammonium sulfate, 20-28% PEG 3350, 2 mM 5-deoxy-5-(methylthio)adenosine, 1 mM H4 peptide (1-20)