5U7M

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 PGT122 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	2014-11-04
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	129.195, 129.195, 312.081
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.817 - 3.025
R-factor	0.2476
Rwork	0.245
R-free	0.28880
RMSD bond length	0.002
RMSD bond angle	0.515
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.070
High resolution limit [Å]	3.000	3.000
Number of reflections	34985
<I/σ(I)>	8.7
Completeness [%]	59.7	17.8
Redundancy	2.9	3
CC(1/2)	0.826	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	6% ISOPROPANOL, 5.32% PEG1500, 0.2M LISO4, 0.1M SODIUM ACETATE PH 5.5