8BDK

Structure of a non-canonical histone from archaea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	42.016, 81.154, 53.543
Unit cell angles	90.00, 98.71, 90.00

Refinement procedure

Resolution	52.925 - 1.880
R-factor	0.21
Rwork	0.208
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b67
RMSD bond length	0.006
RMSD bond angle	0.764
Data reduction software	xia2
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.910
High resolution limit [Å]	1.880	1.880
Rmerge	0.099
Rpim	0.053	0.670
Number of reflections	28933	1466
<I/σ(I)>	7.3
Completeness [%]	100.0
Redundancy	3.3
CC(1/2)	0.996	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M NaOAc pH 4.6, 10% (w/v) PEG 3350 and 5% (w/v) tacsimate pH 4.6