8VWE

HIV-1 neutralizing antibody D5_AR bound to HIV-1 gp41 coiled-coil pocket IQN17

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-11-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	H 3
Unit cell lengths	159.966, 159.966, 67.969
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.480 - 2.200
R-factor	0.2153
Rwork	0.205
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.865
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.480	2.448
High resolution limit [Å]	2.200	2.406
Rmerge	0.067	1.619
Rmeas	0.069
Rpim	0.015	0.366
Number of reflections	32536	656
<I/σ(I)>	29.2	2.2
Completeness [%]	92.1	100
Redundancy	19.7
CC(1/2)	1.000	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	10% PEG 2000 MME 100mM TMAO 100mM Tris pH 8.5