8GBV

Crystal structure of PC39-17A, 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	2015-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	P 1
Unit cell lengths	43.519, 48.969, 113.878
Unit cell angles	93.07, 98.26, 102.49

Refinement procedure

Resolution	47.630 - 2.080
R-factor	0.1946
Rwork	0.193
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.653
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.080	2.080
Rpim	0.130	0.880
Number of reflections	53284	2603
<I/σ(I)>	7.2	1.2
Completeness [%]	98.1	96.9
Redundancy	4.4	4.4
CC(1/2)	0.760	0.380

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	0.2 M calcium acetate, 0.1 M imidazole (pH 8), 10% w/v PEG 8000