5ZBX

The crystal structure of the nucleosome containing histone H3.1 CATD(V76Q, K77D)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	99.543, 109.003, 170.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.276 - 2.580
R-factor	0.2151
Rwork	0.213
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cv5
RMSD bond length	0.008
RMSD bond angle	1.026
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.276	49.276	2.730
High resolution limit [Å]	2.580	7.640	2.580
Rmerge	0.140	0.046	1.548
Rmeas	0.145	0.048	1.609
Total number of observations	782121
Number of reflections	59044	2440	9285
<I/σ(I)>	14.72	48.18	1.68
Completeness [%]	99.6	99	98.3
Redundancy	13.246	11.828	13.613
CC(1/2)	0.999	0.999	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	potassium cacodylate, potassium chloride, manganese chloride