5I8H

Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer in Complex with V3 Loop-targeting Antibody PGT122 Fab and Fusion Peptide-targeting Antibody VRC34.01 Fab

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	2015-03-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	H 3 2
Unit cell lengths	252.296, 252.296, 561.202
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.343 - 4.301
R-factor	0.2825
Rwork	0.281
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.196
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.450
High resolution limit [Å]	4.300	9.250	4.300
Rmerge	0.132	0.054	0.903
Rmeas	0.140	0.060
Rpim	0.063	0.026	0.435
Total number of observations	182597
Number of reflections	39396
<I/σ(I)>	3.7
Completeness [%]	82.7	94.3	50.7
Redundancy	4.6	4.6	4.2
CC(1/2)		0.997	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.5M Sodium Chloride, 0.1M Tris-HCl pH8.5, 5% PEG 8000 and 20% 2-methyl-2, 4- pentanediol