6MUG

Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 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	2017-08-22
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	132.760, 132.760, 313.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.875 - 2.954
R-factor	0.2326
Rwork	0.230
R-free	0.28950
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	2.980
High resolution limit [Å]	2.930	7.940	2.930
Rmerge	0.154	0.093	1.230
Rmeas	0.185	0.115	1.440
Rpim	0.100	0.066	0.735
Total number of observations	68529
Number of reflections	24712	2736	139
<I/σ(I)>	5
Completeness [%]	36.6	79.7	4.1
Redundancy	2.8	2.6	3.6
CC(1/2)		0.977	0.358

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	60mM Na Acetate pH5.5 4% PEG8,000 2%PEG400 300mM NaCl