6CA9

Crystal structure of Fab PCT64_LMCA (SAR), the least mutated common ancestor of the HIV-1 broadly neutralizing antibody lineage PCT64

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 PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	84.199, 87.158, 142.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.579 - 2.702
R-factor	0.2429
Rwork	0.241
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5feh 1ngz
RMSD bond length	0.002
RMSD bond angle	0.487
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	27556
<I/σ(I)>	12.4
Completeness [%]	93.4
Redundancy	5.9
CC(1/2)		0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Tris (pH 8), 1 M lithium chloride, 10% w/v PEG 6000, cryoprotected with 30% glycerol