6TYB

Isolation and Structure of an Antibody that Fully Neutralizes Isolate SIVmac239 Reveals Functional Similarity of SIV and HIV Glycan Shields

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	2018-03-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	197.143, 197.143, 178.531
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.867 - 2.301
R-factor	0.1796
Rwork	0.178
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cay
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (dev_3584)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.105	0.053	0.708
Rmeas	0.111	0.055	0.917
Rpim	0.034	0.017	0.573
Number of reflections	84058	4890	2028
<I/σ(I)>	10.7
Completeness [%]	92.7	99.4	45.3
Redundancy	8.8	10.2	1.5
CC(1/2)		0.998	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	6% PEG 8000, 17% isopropanol, 0.1M imidazole pH 6.5. Crystals were flash frozen in liquid nitrogen with 20 % (v/v) ethylene glycol as a cryoprotectant.