5V2S

Crystal structure of glycoprotein B from Herpes Simplex Virus type I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	P 3 2 1
Unit cell lengths	118.660, 118.660, 216.464
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	108.232 - 3.600
R-factor	0.2467
Rwork	0.244
R-free	0.27320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gum
RMSD bond length	0.003
RMSD bond angle	0.647
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.232	3.729
High resolution limit [Å]	3.600	3.600
Rmerge	0.330	1.833
Rpim	0.120	0.665
Number of reflections	21107	2070
<I/σ(I)>	6.5	1.15
Completeness [%]	99.7	99.76
Redundancy	8.4	8.5
CC(1/2)	0.980	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	16% PEG 3350, 0.1 M Na Hepes pH 7.2, 0.15 M Na formate