7RDL

Crystal structure of PCDN-22A, an anti-HIV antibody from the PCDN bnAb lineage

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	2017-06-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	70.079, 105.471, 145.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.580 - 2.710
R-factor	0.2314
Rwork	0.230
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bzd
RMSD bond length	0.002
RMSD bond angle	0.578
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	SCALEPACK
Phasing software	PHASER (2.7.17)
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	0.070	0.700
Number of reflections	29990	1464
<I/σ(I)>	9	1.5
Completeness [%]	99.3	99.8
Redundancy	5.9	6
CC(1/2)	0.910	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.37	277.15	0.1 M Tris, 0.2 M magnesium chloride, 8% (w/v) PEG 8000