8F3A

HIV-1 gp41 coiled-coil pocket IQN17

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	2019-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	45.857, 46.962, 136.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.440 - 1.200
R-factor	0.1749
Rwork	0.174
R-free	0.18730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q7c
RMSD bond length	0.021
RMSD bond angle	1.572
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (v1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.440	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.046	0.381
Number of reflections	46268	4269
<I/σ(I)>	25.1
Completeness [%]	98.8
Redundancy	20
CC(1/2)	0.999	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M imidazole (pH 8.0) and 35 % 2-methyl-2,4-pentanediol (MPD)