8GC0

Crystal structure of PC39-50L, an anti-HIV broadly neutralizing antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	P 1 21 1
Unit cell lengths	39.810, 69.219, 81.643
Unit cell angles	90.00, 94.28, 90.00

Refinement procedure

Resolution	40.710 - 2.430
R-factor	0.2133
Rwork	0.211
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.538
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.470
High resolution limit [Å]	2.430	2.430
Rpim	0.080	0.320
Number of reflections	16654	761
<I/σ(I)>	11.2	1.7
Completeness [%]	98.3	90.3
Redundancy	5.1	3.9
CC(1/2)	0.880	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	0.085 M sodium acetate pH 4.6, 0.17 M ammonium acetate, 15% glycerol, 25.5% PEG 4000