8ERE

HTLV-1 capsid protein N-terminal domain triclinic 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 X 16M
Wavelength(s)	0.79990
Spacegroup name	P 1
Unit cell lengths	30.070, 30.560, 35.010
Unit cell angles	75.03, 68.46, 89.62

Refinement procedure

Resolution	31.310 - 0.870
R-factor	0.1209
Rwork	0.120
R-free	0.13100
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]	31.310	31.310	0.890
High resolution limit [Å]	0.870	4.770	0.870
Rmerge	0.054	0.035	0.271
Rmeas	0.058	0.039	0.321
Rpim	0.022	0.017	0.169
Total number of observations	565868	3378	13302
Number of reflections	84819	545	3838
<I/σ(I)>	17.8	40.6	4.1
Completeness [%]	93.0	98.7	85.4
Redundancy	6.7	6.2	3.5
CC(1/2)	0.999	0.999	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	10% ethylene glycol, 10% PEG 8K, 0.1 M HEPES, pH 7.5