8ERF

HTLV-1 capsid protein N-terminal domain orthorhombic crystal form

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	2022-04-08
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	30.769, 77.323, 101.905
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.550 - 1.470
R-factor	0.1842
Rwork	0.182
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold2 prediction
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.550	42.550	1.490
High resolution limit [Å]	1.470	8.030	1.470
Rmerge	0.078	0.046	0.713
Rmeas	0.081	0.048	0.744
Rpim	0.023	0.015	0.210
Total number of observations	553859	3337	23644
Number of reflections	42553	324	1939
<I/σ(I)>	15.4	36.4	2.4
Completeness [%]	99.7	99.2	95.1
Redundancy	13	10.3	12.2
CC(1/2)	0.999	0.998	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.2 M (NH4)SO4, 25% PEG 4000, 0.1 M Na acetate, pH4.6