6HAT

Globular domain of herpesvirus saimiri ORF57

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	58.108, 118.652, 130.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.466 - 1.856
R-factor	0.1497
Rwork	0.149
R-free	0.16800
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.162
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.470	1.923
High resolution limit [Å]	1.856	1.856
Rmerge	0.083	0.967
Rmeas	0.087	1.005
Number of reflections	77002	7497
<I/σ(I)>	18.04	2.55
Completeness [%]	99.8	98.48
Redundancy	13.3	13.5
CC(1/2)	0.999	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.12 M Alcohols (0.2 M 1,6-Hexanediol; 0.2 M 1-Butanol; 0.2 M 1,2-Propanediol; 0.2M 2-Propanol; 0.2 M 1,4-Butanediol; 0.2M 1,3-Propanediol), 0.1 M (Imidazole, MES) Buffer System pH 6.5, 50 % v/v GOL_P4K Mix (Morpheus HT96 D3 Molecular Dimensions)