6PDR

Vaccine-elicited murine FP-targeting antibody vFP25.18 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	2017-11-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	128.124, 51.189, 75.258
Unit cell angles	90.00, 114.47, 90.00

Refinement procedure

Resolution	34.250 - 1.555
R-factor	0.176
Rwork	0.175
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.810
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.610
High resolution limit [Å]	1.580	4.290	1.580
Rmerge	0.073	0.055	0.462
Rmeas	0.087	0.067	0.573
Rpim	0.047	0.037	0.334
Total number of observations	214926
Number of reflections	61868	3164	2921
<I/σ(I)>	9.5
Completeness [%]	98.6	97	94.8
Redundancy	3.5	3.2	2.6
CC(1/2)		0.991	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris pH 8.0, 28% PEG 4000