8VRP

HIV-CA Disulfide linked Hexamer bound to 4-Quinazolinone Scaffold inhibitor

This is a non-PDB format compatible entry.

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	2023-08-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 6
Unit cell lengths	160.268, 160.268, 57.235
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.618 - 1.800
Rwork	0.192
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.752
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.618	1.840
High resolution limit [Å]	1.800	1.800
Rpim	0.049	2.231
Number of reflections	78027	4429
<I/σ(I)>	13	1
Completeness [%]	100.0	100
Redundancy	42.3	43.1
CC(1/2)	0.998	0.441

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Morpheus condition B2