6PDU

Vaccine-elicited NHP FP-targeting antibody 13N024-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	2017-06-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	69.032, 74.203, 93.914
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.679 - 1.953
R-factor	0.1744
Rwork	0.173
R-free	0.21070
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	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.098	0.050	0.534
Rmeas	0.106	0.054	0.594
Rpim	0.040	0.021	0.256
Total number of observations	240628
Number of reflections	35653	1940	1747
<I/σ(I)>	6.6
Completeness [%]	99.8	99.7	98.5
Redundancy	6.7	6.6	5.1
CC(1/2)		0.998	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5M NaCl, 10% PEG 400, 20% PEG 8000, 0.1M Na acetate pH 5.5