5T1I

CBX3 chromo shadow domain in complex with histone H3 peptide

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	2013-11-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791829
Spacegroup name	P 1 21 1
Unit cell lengths	40.737, 34.971, 45.833
Unit cell angles	90.00, 93.32, 90.00

Refinement procedure

Resolution	27.790 - 1.600
R-factor	0.197
Rwork	0.194
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kup
RMSD bond length	0.016
RMSD bond angle	1.758
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.760	45.760	1.630
High resolution limit [Å]	1.600	8.770	1.600
Rmerge	0.052	0.023	0.860
Rmeas	0.062	0.029	1.103
Rpim	0.033	0.017	0.678
Total number of observations	55600	318	1249
Number of reflections	16432
<I/σ(I)>	14.5	42.7	1
Completeness [%]	95.5	94.4	65.8
Redundancy	3.4	2.8	2.3
CC(1/2)	0.999	0.998	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% PEG 3350, 0.2 M sodium chloride, 0.1 M Hepes, 5% Ethylene Glycol