5GSE

Crystal structure of unusual nucleosome

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	2016-04-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	90.582, 101.804, 102.427
Unit cell angles	119.30, 106.51, 91.36

Refinement procedure

Resolution	49.659 - 3.140
R-factor	0.2001
Rwork	0.197
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3afa
RMSD bond length	0.005
RMSD bond angle	0.903
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.250
High resolution limit [Å]	3.140	6.760	3.140
Rmerge	0.104	0.067	0.573
Rmeas	0.117	0.075	0.652
Rpim	0.052	0.034	0.305
Total number of observations	229764
Number of reflections	47834
<I/σ(I)>	6.5
Completeness [%]	91.0	90.9	90
Redundancy	4.8	4.9	4
CC(1/2)		0.995	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	potassium bromide, potassium thiocyanate, Tris-HCl, PGA-LM, PEG 400