6D2P

Crystal structure of IOMA-class CLK31 Fab from an HIV-1 naive donor in complex with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.6 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	293
Detector technology	PIXEL
Collection date	2017-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	P 21 21 2
Unit cell lengths	134.300, 66.636, 76.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.259 - 2.600
R-factor	0.216
Rwork	0.213
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ies
RMSD bond length	0.003
RMSD bond angle	0.618
Data reduction software	HKL-2000 (705b)
Data scaling software	HKL-2000 (705b)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.260	2.720
High resolution limit [Å]	2.600	2.600
Number of reflections	21985	2165
<I/σ(I)>	7
Completeness [%]	99.9	100
Redundancy	10.9	10.8
CC(1/2)	0.920	0.310

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	pH 5.0 of 20% w/v PEG6000, 0.1M citric acid (pH 4.0)