6MQE

Vaccine-elicited NHP FP-targeting HIV neutralizing antibody DFPH-a.15 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	2018-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	71.234, 147.729, 172.711
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.276 - 2.459
R-factor	0.1947
Rwork	0.192
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i8e
RMSD bond length	0.008
RMSD bond angle	1.150
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.192	0.094	0.673
Rmeas	0.210	0.103	0.770
Rpim	0.085	0.042	0.368
Total number of observations	187244
Number of reflections	32861	1760	1588
<I/σ(I)>	4.1
Completeness [%]	99.7	98.2	98.5
Redundancy	5.7	5.9	3.9
CC(1/2)		0.993	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% w/v PEG 400, 0.1 M MgCl2, 0.1 M Tris HCl, and 20% w/v PEG 3350