5U7O

Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-626529 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	2015-03-13
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	131.027, 131.027, 311.491
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.349 - 3.031
R-factor	0.2749
Rwork	0.272
R-free	0.32540
RMSD bond length	0.001
RMSD bond angle	0.383
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.020
Number of reflections	43880
<I/σ(I)>	2.2
Completeness [%]	85.6
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	16% ISOPROPANOL, 5.32% PEG1500, 0.2M LISO4, 0.1M SODIUM ACETATE PH 5.5