6MU8

Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 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	2017-07-06
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	131.410, 131.410, 315.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.145 - 2.993
R-factor	0.2213
Rwork	0.219
R-free	0.25920
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	3.040
High resolution limit [Å]	2.990	8.110	2.990
Rmerge	0.083	0.047	0.443
Rmeas	0.097	0.055	0.626
Rpim	0.049	0.028	0.443
Total number of observations	127618
Number of reflections	36151	2665	77
<I/σ(I)>	6.6
Completeness [%]	58.1	84.1	2.5
Redundancy	3.5	3.7	1.1
CC(1/2)		0.986	0.359

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	60mM imidazole pH6.5 3% MPD 5% PEG3,350 120mM LiSO4