7SZU

Crystal structure of Pepper RNA aptamer in complex with HBC ligand and Fab BL3-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-04-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	61.609, 96.992, 148.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.900 - 2.240
R-factor	0.2213
Rwork	0.219
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kzd
RMSD bond length	0.003
RMSD bond angle	0.582
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	148.255	2.310
High resolution limit [Å]	2.239	2.240
Rmerge		1.449
Rpim		0.593
Number of reflections	43646	3937
<I/σ(I)>	17.9	1.1
Completeness [%]	99.9	99.2
Redundancy	6.8	6.9
CC(1/2)	0.999	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.02 M Magnesium sulfate hydrate 0.002 M Cobalt(II) chloride hexahydrate 0.05 M Sodium cacodylate trihydrate pH 6.0 25% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.0005 M Spermine