6NM6

Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to N6 FR3-03 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.2 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-20
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	128.240, 128.240, 315.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.020 - 2.739
R-factor	0.2421
Rwork	0.240
R-free	0.28790
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.061	0.040
Rmeas	0.074	0.048
Rpim	0.042	0.026
Total number of observations	123992
Number of reflections	43397	3800	6
<I/σ(I)>	8.7
Completeness [%]	54.2	93	0.1
Redundancy	2.9	2.9	1
CC(1/2)		0.991	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	60 mM acetate pH 4.5, 420 mM sodium formate, 5% PEG 3,350 and 60 mM CaCl2