4TVP

Crystal Structure of the HIV-1 BG505 SOSIP.664 Env Trimer Ectodomain, Comprising Atomic-Level Definition of Pre-Fusion gp120 and gp41, in Complex with Human Antibodies PGT122 and 35O22

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	2014-04-20
Detector	RAYONIX MX300HS
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	128.890, 128.890, 313.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.739 - 3.100
R-factor	0.2152
Rwork	0.213
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jy5 4toy 4j6r
RMSD bond length	0.002
RMSD bond angle	0.575
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1702))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.210
High resolution limit [Å]	3.100	3.100
Number of reflections	39567
<I/σ(I)>	11.3	1.11
Completeness [%]	73.4	27.8
Redundancy	3.8	3

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