8W2Y

Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774099999999994
Spacegroup name	H 3 2
Unit cell lengths	44.641, 44.641, 219.526
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.590 - 1.630
R-factor	0.2437
Rwork	0.241
R-free	0.29130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.591
Data reduction software	xia2 (0.5.653-g9f819c0c-dials-1.11)
Data scaling software	xia2 (0.5.653-g9f819c0c-dials-1.11)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.590	1.790
High resolution limit [Å]	1.630	1.630
Rmerge	0.067	0.550
Number of reflections	10874	1943
<I/σ(I)>	6.77	0.15
Completeness [%]	95.3	81.56
Redundancy	6.9	2.5
CC(1/2)	1.000	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.4	293	0.1M lithium sulfate, 0.1M sodium citrate trihydrate at pH 6.4 and 25% PEG-1500