8ERG

HTLV-1 capsid protein N-terminal domain hexagonal 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 6 2 2
Unit cell lengths	74.620, 74.620, 73.782
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.610 - 2.100
R-factor	0.243
Rwork	0.240
R-free	0.27110
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]	48.610	48.610	2.110
High resolution limit [Å]	2.050	8.950	2.050
Rmerge	0.150	0.085	1.549
Rmeas	0.152	0.087	1.584
Rpim	0.026	0.016	0.301
Total number of observations	263835	3650	12619
Number of reflections	7949	138	494
<I/σ(I)>	17.4	37.7	2.4
Completeness [%]	98.6	99.5	81.7
Redundancy	33.2	26.4	25.5
CC(1/2)	0.998	0.999	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	2 M (NH4)SO4, 2% PEG 400, 0.1 M HEPES, pH7.5