8GBY

Crystal structure of PC39-50E, 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	2016-01-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	53.067, 68.107, 128.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.070 - 2.350
R-factor	0.2381
Rwork	0.236
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.542
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.350	2.350
Rpim	0.050	0.520
Number of reflections	20042	3125
<I/σ(I)>	8.2	1.5
Completeness [%]	99.5	98.9
Redundancy	5.6	5.4
CC(1/2)	1.000	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M sodium formate, 20% PEG 3350