6MU7

Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-818251 in Complex with Human Antibodies 3H109L and 35O22 at 3.1 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	2017-06-29
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	131.510, 131.510, 314.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.047 - 2.501
R-factor	0.2249
Rwork	0.223
R-free	0.26070
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	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.093	0.055	0.659
Rmeas	0.111	0.065	0.912
Rpim	0.059	0.034	0.628
Total number of observations	170402
Number of reflections	58228	4692	162
<I/σ(I)>	6.7
Completeness [%]	55.1	87.3	3.1
Redundancy	2.9	3.1	1.3
CC(1/2)		0.980	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	150mM Ammonium Citrate pH7.5 7.5% PEG3,350 7.5% isopropanol