6DE7

Crystal Structure at 4.3 A Resolution of Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer with Interdomain Stabilization 113C-429GCG in Complex with Broadly Neutralizing 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	2016-04-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	128.655, 128.655, 312.918
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.112 - 4.123
R-factor	0.252
Rwork	0.248
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tvp
RMSD bond length	0.004
RMSD bond angle	0.746
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((dev_3126: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.200
High resolution limit [Å]	4.100	10.090	4.100
Rmerge	0.182	0.121	0.726
Rmeas	0.193	0.129	0.801
Rpim	0.064	0.041	0.317
Total number of observations	111641
Number of reflections	16811	1509	634
<I/σ(I)>	7.4
Completeness [%]	75.6	99.1	44
Redundancy	6.6	9.3	3.4
CC(1/2)		0.968	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	24%PEG400, 3% PEG3350, 0.1M sodium acetate 5.5, 0.2M LiSO4