6E82

Crystal structure of the Corn aptamer mutant A14U in complex with ThT

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	2018-05-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	H 3 2
Unit cell lengths	130.723, 130.723, 40.674
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.031 - 3.101
R-factor	0.2475
Rwork	0.238
R-free	0.32980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bjp
RMSD bond length	0.008
RMSD bond angle	1.688
Data reduction software	DIALS
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.740	37.740	3.040
High resolution limit [Å]	2.960	13.240	2.960
Rmerge	0.137	0.018	1.062
Rmeas	0.141	0.018	1.091
Rpim	0.032	0.005	0.246
Total number of observations	53903
Number of reflections	2840	36	198
<I/σ(I)>	13.8
Completeness [%]	99.9	96	100
Redundancy	19	15.5	19.1
CC(1/2)	1.000	1.000	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	20 % PEG 4000, 5% PEG 400, 10% glycerol, 0.2 M ammonium acetate pH 6.7, 0.1 M sodium citrate pH 5.6, 0.5 mM ThT