5WG6

Human Polycomb Repressive Complex 2 in complex with GSK126 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	PIXEL
Collection date	2016-11-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	243.880, 243.880, 243.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.647 - 3.901
R-factor	0.245
Rwork	0.242
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ij7
RMSD bond length	0.008
RMSD bond angle	0.754
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.970
High resolution limit [Å]	3.900	3.900
Rmerge	0.375	4.734
Rpim	0.075	0.939
Number of reflections	33621	1643
<I/σ(I)>	14.6	1.17
Completeness [%]	100.0	100
Redundancy	26.2	26.2
CC(1/2)	0.932	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	200 mM ammonium citrate pH 7.2, 16% PEG 3350