6MTN

Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor Compound 484 in Complex with Human Antibodies 3H109L and 35O22 at 3.0 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	2017-06-11
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	131.500, 131.500, 315.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.043 - 2.500
R-factor	0.225
Rwork	0.223
R-free	0.26260
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	0.130	0.089	1.140
Rmeas	0.148	0.101	1.369
Rpim	0.069	0.047	0.742
Total number of observations	241947
Number of reflections	54831	5380	117
<I/σ(I)>	6.1
Completeness [%]	50.9	98.1	2.2
Redundancy	4.4	4.5	3
CC(1/2)		0.975	0.362

Crystallization Conditions

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