3WTP

Crystal Structure of the heterotypic nucleosome containing human CENP-A and H3.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97319
Spacegroup name	P 21 21 21
Unit cell lengths	98.117, 107.667, 168.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.667 - 2.670
R-factor	0.2306
Rwork	0.229
R-free	0.26990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cv5
RMSD bond length	0.008
RMSD bond angle	1.005
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.790
High resolution limit [Å]	2.670	5.340	2.670
Number of reflections	50779
<I/σ(I)>	9.8	24.8	2.7
Completeness [%]	98.0	99	90
Redundancy	5.5	6.8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	potassium cacodylate, potassium chloride, manganese chloride, pH 6.0, vapor diffusion, hanging drop, temperature 293K