5WFD

Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK126

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	2017-06-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	117.534, 136.971, 223.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.146 - 2.654
R-factor	0.1836
Rwork	0.181
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bjs
RMSD bond length	0.012
RMSD bond angle	1.107
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	2.700
High resolution limit [Å]	2.654	2.654
Rmerge	0.213	3.146
Rpim	0.066	0.975
Number of reflections	52188	2541
<I/σ(I)>	14.6
Completeness [%]	100.0	100
Redundancy	11.4	11.1
CC(1/2)	0.882	0.535

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