5VOD

Crystal structure of HCMV Pentamer in complex with neutralizing antibody 9I6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	I 21 21 21
Unit cell lengths	148.259, 208.820, 267.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.710 - 5.900
R-factor	0.26
Rwork	0.258
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vob
RMSD bond length	0.010
RMSD bond angle	1.300
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.710	6.100
High resolution limit [Å]	5.900	5.900
Rmerge	0.129	0.805
Number of reflections	11302	3153
<I/σ(I)>	8.6	2.4
Completeness [%]	100.0	100
Redundancy	7.7	7.9
CC(1/2)	0.968	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	10% (wt/vol) PEG methyl ether 500 0.1 M MES pH 6.2 0.00001 M phenol