7KVU

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 42 21 2
Unit cell lengths	103.731, 103.731, 51.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.460 - 2.680
R-factor	0.212
Rwork	0.209
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kvt
RMSD bond length	0.005
RMSD bond angle	1.053
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.460	2.850
High resolution limit [Å]	2.680	2.680
Rmerge	0.046	4.494
Number of reflections	8369	1463
<I/σ(I)>	71.7
Completeness [%]	99.9
Redundancy	24.7

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