9ZVR

Crystal structure of HTLV-1 protease bound to darunavir at 2.1 angstroms with truncated flaps

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	293
Detector technology	PIXEL
Collection date	2025-09-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.07812
Spacegroup name	P 63 2 2
Unit cell lengths	77.477, 77.477, 160.444
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.820 - 2.100
R-factor	0.2179
Rwork	0.216
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.498
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.820	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.013	0.278
Rmeas	0.018	0.394
Rpim	0.013	0.278
Number of reflections	34752	3354
<I/σ(I)>	19	2.1
Completeness [%]	100.0
Redundancy	2
CC(1/2)	1.000	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	39-41% (v/v) PEG 300, 0.1M Phosphate/Citrate Buffer pH 4.2