6UCF

N123-VRC34_pI4 HIV neutralizing antibody 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	2018-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	38.420, 86.434, 128.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.108 - 1.290
R-factor	0.1675
Rwork	0.167
R-free	0.18230
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	1.310
High resolution limit [Å]	1.289	3.500	1.290
Rmerge	0.077	0.044	0.629
Rmeas	0.084	0.049	0.701
Rpim	0.034	0.020	0.305
Number of reflections	108470	5793	5356
<I/σ(I)>	9.9
Completeness [%]	99.7	99.1	99.9
Redundancy	5.9	5.6	5.1
CC(1/2)		0.998	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.24 M ammonium acetate, 23% PEG3350, 0.1 M Tris, pH 8.4