9ZYE

Crystal structure of HTLV-1 protease bound to UMass6 at 2.7 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]	100
Detector technology	PIXEL
Collection date	2019-09-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.07812
Spacegroup name	P 63 2 2
Unit cell lengths	77.753, 77.753, 159.132
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.670 - 2.700
R-factor	0.2254
Rwork	0.223
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.959
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]	41.670	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.012	0.093
Rmeas	0.017	0.132
Rpim	0.012	0.093
Number of reflections	8385	806
<I/σ(I)>	32.3	8.6
Completeness [%]	99.9
Redundancy	2
CC(1/2)	1.000	0.978

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