7SSC

TRL345 lineage ancestor I8 Fab bound to an HCMV gB-derived peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-18
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	66.879, 74.669, 104.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.390 - 1.800
R-factor	0.1515
Rwork	0.150
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uoe 6zfo
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.880	66.880	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.064	0.036	0.139
Rmeas	0.070	0.039	0.153
Rpim	0.028	0.016	0.062
Total number of observations	287280	2766	17001
Number of reflections	48200	469	2826
<I/σ(I)>	17.2	23.5	9.6
Completeness [%]	97.9	99.1	98
Redundancy	6	5.9	6
CC(1/2)	0.997	0.998	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2 M magnesium chloride hexahydrate, 25% (w/v) PEG 3350, 0.1 M Bis-Tris pH 5.5