6P8D

Vaccine-elicited murine FP-targeting antibody vFP6.01 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	2016-11-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	42.311, 119.777, 185.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.252 - 2.102
R-factor	0.2724
Rwork	0.271
R-free	0.30930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.826
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.091	0.049	0.481
Rmeas	0.101	0.055	0.535
Rpim	0.042	0.024	0.228
Total number of observations	275912
Number of reflections	53466	2998	2153
<I/σ(I)>	6.4
Completeness [%]	95.5	97.1	78.5
Redundancy	5.2	5	4
CC(1/2)		0.996	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.5M NaCl, 0.2M Li2SO4, 0.1M acetate pH 4.5