7RDK

Crystal structure of PCDN-16B, an anti-HIV antibody from the PCDN bnAb lineage (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	42.211, 115.230, 44.104
Unit cell angles	90.00, 99.08, 90.00

Refinement procedure

Resolution	43.550 - 2.460
R-factor	0.2103
Rwork	0.208
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bzd
RMSD bond length	0.002
RMSD bond angle	0.516
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	2.540
High resolution limit [Å]	2.460	2.460
Rpim	0.090	0.410
Number of reflections	14022	659
<I/σ(I)>	7.1	1.6
Completeness [%]	94.0	92.3
Redundancy	2.3	2.2
CC(1/2)	0.830	0.480

Crystallization Conditions

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