7RDJ

Crystal structure of PCDN-16B, an anti-HIV antibody from the PCDN bnAb lineage (non-cysteinylated state)

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	2017-06-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 1 21 1
Unit cell lengths	46.796, 76.778, 62.423
Unit cell angles	90.00, 92.04, 90.00

Refinement procedure

Resolution	48.420 - 1.930
R-factor	0.1723
Rwork	0.170
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bzd
RMSD bond length	0.003
RMSD bond angle	0.676
Data reduction software	HKL-2000 (2.3.10)
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	1.960
High resolution limit [Å]	1.930	1.930
Rpim	0.100	0.500
Number of reflections	32727	1649
<I/σ(I)>	7.4	1.7
Completeness [%]	98.7	98.6
Redundancy	2.7	2.7
CC(1/2)	0.800	0.430

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.2 M disodium tartrate, 20% (w/v) PEG 3350