5H13

EED in complex with PRC2 allosteric inhibitor EED396

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	2011-03-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97907
Spacegroup name	P 21 21 2
Unit cell lengths	150.670, 45.970, 51.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.360 - 1.900
R-factor	0.1976
Rwork	0.196
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qxv
RMSD bond length	0.010
RMSD bond angle	1.110
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.363	28.363	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.062	0.362
Rmeas	0.087	0.073	0.398
Rpim	0.040	0.037	0.163
Total number of observations	148488	4073	24268
Number of reflections	29130
<I/σ(I)>	15.9	24.7	6
Completeness [%]	99.7	96	100
Redundancy	5.1	4.1	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3.3 M Na formate, 0.01 M Yttrium chloride hexahydrate