6KXV

Crystal structure of a nucleosome containing Leishmania histone H3

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	2017-05-14
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1000
Spacegroup name	P 21 21 21
Unit cell lengths	101.903, 101.101, 175.526
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.932 - 3.630
R-factor	0.2225
Rwork	0.220
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ay8
RMSD bond length	0.003
RMSD bond angle	0.583
Data reduction software	XDS (BUILT=20170615)
Data scaling software	XSCALE (BUILT=20170615)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.932	48.932	3.850
High resolution limit [Å]	3.630	10.660	3.630
Rmerge	0.232	0.060	2.226
Rmeas	0.238	0.061	2.284
Number of reflections	21054	926	3250
<I/σ(I)>	10.57	47.92	1.34
Completeness [%]	99.6	98.7	97.7
Redundancy	20.991	18.941	20.003
CC(1/2)	0.999	0.999	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium acetate, isopropanol, manganese chloride, trimethylamine N-oxide