6MU6

Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-814508 in Complex with Human Antibodies 3H109L and 35O22 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	2017-07-06
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	131.250, 131.250, 314.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.962 - 2.551
R-factor	0.2322
Rwork	0.231
R-free	0.26380
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	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.074	0.038	0.824
Rmeas	0.083	0.043	1.090
Rpim	0.038	0.020	0.707
Total number of observations	236078
Number of reflections	51503	4914	84
<I/σ(I)>	7.6
Completeness [%]	50.9	95.7	1.7
Redundancy	4.6	4.7	2.1
CC(1/2)		0.992	0.555

Crystallization Conditions

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