6MTJ

Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies 3H109L and 35O22 at 2.9 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	2017-06-10
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	132.180, 132.180, 316.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.266 - 2.336
R-factor	0.2354
Rwork	0.233
R-free	0.28150
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	2.370
High resolution limit [Å]	2.330	6.320	2.330
Rmerge	0.139	0.087	0.665
Rmeas	0.155	0.096	0.889
Rpim	0.068	0.041	0.585
Total number of observations	355894
Number of reflections	71849	6345	101
<I/σ(I)>	6
Completeness [%]	54.0	94.3	1.5
Redundancy	5	5.1	1.7
CC(1/2)		0.984	0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	75mM Imidazole pH6.5 3.75% MPD 6.25% PEG 3,350 150mM LiSO4