6UCE

N123-VRC34_pI3 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 1 21 1
Unit cell lengths	42.807, 80.727, 69.819
Unit cell angles	90.00, 102.31, 90.00

Refinement procedure

Resolution	31.417 - 1.382
R-factor	0.1814
Rwork	0.180
R-free	0.20370
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	1.400
High resolution limit [Å]	1.380	3.750	1.380
Rmerge	0.062	0.046	0.275
Rmeas	0.076	0.057	0.336
Rpim	0.044	0.034	0.190
Total number of observations	267907
Number of reflections	89502	4207	3931
<I/σ(I)>	13.7
Completeness [%]	94.5	86.4	84.3
Redundancy	3	2.7	2.9
CC(1/2)		0.992	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.175 M sodium chloride, 19.5% PEG3350