5EPL

Crystal Structure of chromodomain of CBX4 in complex with inhibitor UNC3866

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9786036
Spacegroup name	P 61 2 2
Unit cell lengths	65.178, 65.178, 133.057
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.000 - 1.810
R-factor	0.187
Rwork	0.183
R-free	0.21600
RMSD bond length	0.018
RMSD bond angle	1.753
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.350	1.840
High resolution limit [Å]	1.810	1.810
Rmerge	0.064	0.664
Number of reflections	16048
<I/σ(I)>	37.4	5.4
Completeness [%]	99.9	98.7
Redundancy	20.4	19.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	30% PEG3350, 0.2M sodium chloride, 0.1 M sodium cacodylate