5VK3

Apo ctPRC2 with E840A and K852D mutations in Ezh2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	298
Detector technology	PIXEL
Collection date	2017-02-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	117.594, 138.004, 224.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.753 - 2.114
R-factor	0.1704
Rwork	0.168
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bjs
RMSD bond length	0.008
RMSD bond angle	0.845
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	112.180	2.160
High resolution limit [Å]	2.110	2.110
Rmerge	0.237	3.860
Rpim	0.067	1.090
Number of reflections	98691
<I/σ(I)>	23.13	1.59
Completeness [%]	100.0	100
Redundancy	13.2	13.4
CC(1/2)	0.880	0.465

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