7TI6

Crystal structure of the wild-type least mutated common ancestor (LMCA) of the HIV-targeting PCT64 antibody lineage

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	2018-06-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03319
Spacegroup name	P 1 21 1
Unit cell lengths	56.083, 64.317, 76.324
Unit cell angles	90.00, 98.18, 90.00

Refinement procedure

Resolution	48.970 - 2.640
R-factor	0.2299
Rwork	0.229
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ca7
RMSD bond length	0.002
RMSD bond angle	0.589
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.640	2.640
Rpim	0.110	0.870
Number of reflections	15988	811
<I/σ(I)>	8.7	1.4
Completeness [%]	100.0	100
Redundancy	6.5	5.6
CC(1/2)	0.830	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.1 M HEPES (pH 6.5), 12% (w/v) PEG 6000