6TXR

Structural insights into cubane-modified aptamer recognition of a malaria biomarker

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9790
Spacegroup name	P 41 21 2
Unit cell lengths	80.720, 80.720, 504.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.230 - 2.500
R-factor	0.2049
Rwork	0.203
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zh2
RMSD bond length	0.010
RMSD bond angle	1.463
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.230	2.650
High resolution limit [Å]	2.496	2.500
Rmerge	0.172
Rmeas	0.176	2.036
Number of reflections	59822	9400
<I/σ(I)>	13.25	1.43
Completeness [%]	99.6	99.4
Redundancy	20
CC(1/2)	0.999	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	45% (v/v) 2-Methyl-2,4-pentanediol, 0,2 M Ammonium acetate and 0,1 M Hepes pH 7,5