7KVV

Crystal structure of Squash RNA aptamer in complex with DFHBI-1T

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	CCD
Collection date	2020-02-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 42 21 2
Unit cell lengths	104.271, 104.271, 52.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.140 - 2.850
R-factor	0.2226
Rwork	0.221
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kvt
RMSD bond length	0.001
RMSD bond angle	0.398
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.140	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.033	3.458
Number of reflections	7090	611
<I/σ(I)>	93.1
Completeness [%]	99.9
Redundancy	31.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	40 mM Na cacodylate pH 7.0, 80 mM NaCl, 12 mM spermine hydrochloride, 36% (v/v) MPD, and 40 mM NaI