9PGU

HIV Capsid Hexamer bound to Compound 40

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00003
Spacegroup name	P 41 21 2
Unit cell lengths	134.650, 134.650, 211.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.280 - 3.360
R-factor	0.2238
Rwork	0.221
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.499
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.280	3.450
High resolution limit [Å]	3.360	3.360
Rpim	0.091
Number of reflections	52800	3744
<I/σ(I)>	7.92
Completeness [%]	99.9
Redundancy	7
CC(1/2)	0.997	0.265

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	7% peg 8000, 0.1M sodium malonate, pH 6.5