7KBA

Crystal structure of the HCMV pentamer-specific Fab 2-18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2019-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	130.080, 59.103, 141.927
Unit cell angles	90.00, 91.45, 90.00

Refinement procedure

Resolution	65.020 - 2.800
R-factor	0.2236
Rwork	0.222
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ihz 6mee
RMSD bond length	0.008
RMSD bond angle	1.427
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_3758)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.020	2.950
High resolution limit [Å]	2.800	2.800
Number of reflections	26602	3773
<I/σ(I)>	4	1.7
Completeness [%]	98.8	96.7
Redundancy	4.1
CC(1/2)	0.851	0.291

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	Seed crystals were grown in 0.1M HEPES pH 7.5, 45% PEG 400. Crystals were then seeded into 0.2M ammonium acetate, 0.1M sodium citrate tribasic dihydrate pH 5.6, 30% PEG 4000