8GBX

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	C 2 2 21
Unit cell lengths	91.621, 131.101, 104.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.810 - 2.700
R-factor	0.2138
Rwork	0.212
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.561
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	2.750
High resolution limit [Å]	2.700	2.700
Rpim	0.100	0.830
Number of reflections	17633	801
<I/σ(I)>	7.4	1
Completeness [%]	99.8	97.6
Redundancy	6.9	4
CC(1/2)	0.870	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293.15	10% glycerol, 0.1 M MES, 5% PEG 1000, 30% PEG 600