8F3B

HIV-1 gp41 coiled-coil pocket IQN22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	27.359, 38.217, 151.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.480 - 2.000
R-factor	0.2339
Rwork	0.232
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8f3a
RMSD bond length	0.007
RMSD bond angle	0.828
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.050	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.064	0.064
Number of reflections	11287	1108
<I/σ(I)>	26.4
Completeness [%]	90.8
Redundancy	20
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M di-ammonium phosphate and 40 % MPD