5B40

The nucleosome structure containing H2B-K120 and H4-K31 monoubiquitinations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.1
Spacegroup name	P 32
Unit cell lengths	100.419, 100.419, 186.025
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.391 - 3.330
R-factor	0.2052
Rwork	0.201
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3av1
RMSD bond length	0.012
RMSD bond angle	1.496
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.460
High resolution limit [Å]	3.330	6.920	3.330
Rmerge	0.070	0.052	0.320
Number of reflections	30012
<I/σ(I)>	11.4
Completeness [%]	97.7	99.6	92.8
Redundancy	6.2	9.8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	90mM Tris-HCl (pH 7.8), 3.6% PGA-LM, 25.2% PEG 400, 2-6% Pentaerythritol ethoxylate (3/4 EO/OH)