6MQS

Vaccine-elicited NHP FP-targeting HIV neutralizing antibody A12V163-a.01 in complex with HIV fusion peptide (residue 512-519)

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	PIXEL
Collection date	2017-02-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	98.781, 98.781, 261.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.682 - 2.997
R-factor	0.234
Rwork	0.233
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.106	0.053	0.840
Rmeas	0.110	0.055	0.877
Rpim	0.030	0.016	0.244
Total number of observations	327292
Number of reflections	26605	1533	1210
<I/σ(I)>	6.4
Completeness [%]	98.9	99.7	94
Redundancy	12.3	12.1	10.9
CC(1/2)		0.999	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.17 M NH4CH3CO2, 0.085 M acetate pH 4.6, 25.5% w/v PEG 4000, and 15% glycerol