7EOI

Crystal structure of the Pepper aptamer in complex with HBC, manganese soak

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	2020-07-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.192
Spacegroup name	C 1 2 1
Unit cell lengths	85.619, 34.702, 54.141
Unit cell angles	90.00, 122.78, 90.00

Refinement procedure

Resolution	35.993 - 1.920
R-factor	0.2166
Rwork	0.215
R-free	0.24310
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.173	0.157	0.553
Rmeas	0.188	0.170	0.648
Rpim	0.073	0.066	0.326
Number of reflections	15509	1122	208
<I/σ(I)>	3.9
Completeness [%]	77.2	98.2	19.3
Redundancy	5.7	6.5	2.8
CC(1/2)		0.776	0.757

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