7OAV

Crystal structure of Chili RNA aptamer in complex with DMHBO+ (Iridium III hexammine soaking crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.1048
Spacegroup name	P 1 21 1
Unit cell lengths	57.192, 106.760, 63.552
Unit cell angles	90.00, 116.53, 90.00

Refinement procedure

Resolution	46.140 - 2.990
R-factor	0.2039
Rwork	0.202
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7oa3
RMSD bond length	0.002
RMSD bond angle	0.723
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.140	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.116	5.201
Number of reflections	15836	2270
<I/σ(I)>	8.6	0.4
Completeness [%]	98.7	97.7
Redundancy	7.1
CC(1/2)		0.212

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 400, MES, Spermine tetrahydrochloride