8FLZ

HIV-1 gp120 complex with CJF-III-049-S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-12
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	71.082, 121.925, 195.931
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.980 - 2.000
R-factor	0.2637
Rwork	0.263
R-free	0.28340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.088
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20rc3_4406)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.980	2.260
High resolution limit [Å]	2.000	2.000
Rmerge	0.138	1.290
Rpim	0.057	0.538
Number of reflections	69947	3497
<I/σ(I)>	9.2
Completeness [%]	92.9
Redundancy	6.8
CC(1/2)	0.997	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	14 to 16 %(w/v) PEG 1500, 0.1 M CaCl2, 0.1 M imidazole pH 6.5