8GBZ

Crystal structure of PC39-55C, an anti-HIV broadly neutralizing antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	39.366, 171.380, 68.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.850 - 1.970
R-factor	0.2211
Rwork	0.219
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.744
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	2.000
High resolution limit [Å]	1.970	1.970
Rpim	0.030	0.250
Number of reflections	33396	1605
<I/σ(I)>	17.2	2.8
Completeness [%]	99.5	99.6
Redundancy	7.1	6
CC(1/2)	0.980	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M ammonium fluoride, 15% ethylene glycol, 20% PEG 3350