5B0Y

Crystal structure of the nucleosome containing histone H3 with the crotonylated lysine 122

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	2014-10-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	99.635, 108.773, 171.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.817 - 2.557
R-factor	0.2123
Rwork	0.210
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3av1
RMSD bond length	0.009
RMSD bond angle	1.069
Data reduction software	HKL-2000 (705b)
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.550	5.490	2.550
Rmerge	0.100	0.073	0.353
Rmeas	0.105	0.077	0.401
Rpim	0.032	0.022	0.182
Total number of observations	504942
Number of reflections	59824
<I/σ(I)>	8.4
Completeness [%]	98.4	99.5	91.3
Redundancy	8.4	11.8	3.8
CC(1/2)		0.998	0.694

Crystallization Conditions

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