8TQP

HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	PIXEL
Collection date	2022-08-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1
Unit cell lengths	89.845, 89.956, 115.400
Unit cell angles	87.01, 78.39, 60.34

Refinement procedure

Resolution	49.143 - 2.900
Rwork	0.200
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.264
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.143	2.970
High resolution limit [Å]	2.900	2.900
Number of reflections	67407	4484
<I/σ(I)>	6.2	0.9
Completeness [%]	99.1
Redundancy	3.7
CC(1/2)	0.993	0.255

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PACT E4