5WFC

Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK343

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93.15
Detector technology	PIXEL
Collection date	2017-06-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	117.587, 137.794, 222.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.723 - 2.282
R-factor	0.1684
Rwork	0.167
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bjs
RMSD bond length	0.008
RMSD bond angle	0.881
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	2.330
High resolution limit [Å]	2.282	2.290
Rmerge	0.109	1.126
Rpim	0.033	0.454
Number of reflections	79303	3729
<I/σ(I)>	24.6	2.11
Completeness [%]	99.1	91.4
Redundancy	12	7.1
CC(1/2)	0.925	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100 mM sodium malonate pH 7.0, 16% PEG 3350, 43 mM 3-cyclohexyl-1-propylphosphocholine