7EOH

Crystal structure of the Pepper aptamer in complex with HBC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	92.642, 35.023, 58.127
Unit cell angles	90.00, 127.88, 90.00

Refinement procedure

Resolution	36.561 - 1.637
R-factor	0.1993
Rwork	0.197
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eog
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.700
High resolution limit [Å]	1.637	3.530	1.640
Rmerge	0.134	0.102	0.640
Rmeas	0.146	0.111	0.710
Rpim	0.058	0.045	0.299
Number of reflections	17900	1876	1638
<I/σ(I)>	4.2
Completeness [%]	98.3	99.4	91.2
Redundancy	6.1	6.5	4.6
CC(1/2)		0.986	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M ammonium chloride, 0.005 M magnesium chloride, 0.025 M HEPES, pH 7.0, 1.25 M 1,6-hexanediol, 40% MPD