9CMT

The crystal structure of HP1alpha CSD-Agno complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	112.961, 112.961, 154.687
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.840 - 3.170
R-factor	0.2518
Rwork	0.248
R-free	0.28610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.474
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.250
High resolution limit [Å]	3.170	3.170
Rpim	0.037	0.645
Number of reflections	17508	863
<I/σ(I)>	40.8	2.2
Completeness [%]	100.0
Redundancy	12.9
CC(1/2)	0.991	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1 uL protein solution (about 10 mg/ml) and 1 uL reservoir solution containing 0.01 M NiCl2, 0.1 M Tris-HCl, pH 8.5, and 20% PEG2000MME (v/v)