7U0Y

Crystal structure of Pepper RNA aptamer in complex with HBC599 ligand and Fab BL3-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	61.247, 96.071, 148.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.670 - 2.660
R-factor	0.2215
Rwork	0.219
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kzd
RMSD bond length	0.005
RMSD bond angle	0.801
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]	80.610	2.790
High resolution limit [Å]	2.660	2.660
Rmerge		0.461
Rmeas		0.643
Rpim		0.447
Number of reflections	25179	2793
<I/σ(I)>	15.61	1.4
Completeness [%]	96.8	82.2
Redundancy	3.3	2.6
CC(1/2)	0.997	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.2 M Ammonium Acetate, 0.1 M BIS-TRIS pH 6.5, 45% v/v (+/-)-2-Methyl-2,4-pentanediol