8V17

HIV-CA Disulfide linked Hexamer with inhibitor bound - exploration of a benzothiazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 6
Unit cell lengths	90.902, 90.902, 56.468
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.927 - 1.500
Rwork	0.142
R-free	0.17140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.871
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.927	1.530
High resolution limit [Å]	1.500	1.500
Rpim	0.041	1.184
Number of reflections	42672	2134
<I/σ(I)>	14.8	1.4
Completeness [%]	100.0	100
Redundancy	41.7	42.3
CC(1/2)	0.999	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Morpheus Condition D11