8FLY

HIV-1 gp120 complex with BNM-III-170

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	71.790, 120.780, 194.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.730 - 2.040
R-factor	0.2482
Rwork	0.247
R-free	0.27610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.537
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]	48.730	2.340
High resolution limit [Å]	2.040	2.040
Rmerge	0.237	1.965
Rpim	0.067	0.561
Number of reflections	64404	3788
<I/σ(I)>	9.1
Completeness [%]	94.0	74.8
Redundancy	13.5
CC(1/2)	0.993	0.534

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