5H15

EED in complex with PRC2 allosteric inhibitor EED709

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979150
Spacegroup name	P 21 21 2
Unit cell lengths	93.497, 179.130, 50.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.160 - 2.270
R-factor	0.1853
Rwork	0.183
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qxv
RMSD bond length	0.010
RMSD bond angle	1.130
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.270	4.950	2.270
Rmerge	0.121	0.044	0.454
Total number of observations	214835
Number of reflections	38289
<I/σ(I)>	8.1
Completeness [%]	96.4	92.7	98.1
Redundancy	5.6	5.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Tris, 16% PEG 8000, 10 mM beta-Nicotinamide mononucleotide