6VJT

Co-crystals of broadly neutralizing antibody with the linear epitope from Hepatitis B surface antigen

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	2019-08-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	49.848, 71.150, 134.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.352 - 1.782
R-factor	0.1835
Rwork	0.182
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ggu
Data reduction software	XDS (1.11.7)
Data scaling software	XDS (0.5.32)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	134.700	134.700	1.820
High resolution limit [Å]	1.780	9.090	1.780
Rmerge	0.084	0.045	1.256
Rmeas	0.088	0.048	1.310
Rpim	0.025	0.014	0.366
Total number of observations	598818	4697	28476
Number of reflections	46432	438	2356
<I/σ(I)>	17.2	47.3	1.3
Completeness [%]	99.5	99.9	91
Redundancy	12.9	10.7	12.1
CC(1/2)	0.999	0.999	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	Morpheus position E1