5GSA

EED in complex with an allosteric PRC2 inhibitor

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	2013-04-16
Detector	MAR CCD 130 mm
Wavelength(s)	0.97930
Spacegroup name	P 21 21 2
Unit cell lengths	93.793, 177.908, 50.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.940 - 2.490
R-factor	0.1854
Rwork	0.182
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qxv
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	BUSTER-TNT (2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.490	5.380	2.500
Rmerge	0.117	0.062	0.535
Number of reflections	30316
<I/σ(I)>	9.9
Completeness [%]	99.6	99.6	99.8
Redundancy	6.3	6.5	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	293	0.1 M TRIS, 16% PEG 8000