7EOG

Crystal structure of the Pepper aptamer in complex with HBC, iridium hexammine 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	2019-01-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.102
Spacegroup name	C 1 2 1
Unit cell lengths	92.925, 34.771, 58.552
Unit cell angles	90.00, 128.11, 90.00

Refinement procedure

Resolution	46.073 - 1.500
R-factor	0.1934
Rwork	0.192
R-free	0.21820
Structure solution method	SAD
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	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.102	0.075	0.726
Rmeas	0.110	0.081	0.798
Rpim	0.041	0.031	0.324
Number of reflections	41597	2427	1759
<I/σ(I)>	4.3
Completeness [%]	91.3	97.3	74.5
Redundancy	6.6	6.8	5.2
CC(1/2)		0.996	0.695

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