5Z30

The crystal structure of the nucleosome containing a cancer-associated histone H2A.Z R80C mutant

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	2015-06-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	99.399, 108.332, 170.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.700 - 2.450
R-factor	0.2036
Rwork	0.202
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wa9
RMSD bond length	0.008
RMSD bond angle	1.080
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.530
High resolution limit [Å]	2.440	5.250	2.440
Rmerge	0.092	0.070	0.415
Rmeas	0.101	0.077	0.488
Rpim	0.040	0.031	0.250
Total number of observations	336465
Number of reflections	66632	7117	6193
<I/σ(I)>	8.2
Completeness [%]	97.8	99.2	92.1
Redundancy	5	6.2	3
CC(1/2)		0.997	0.577

Crystallization Conditions

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