6E84

Crystal structure of the Corn aptamer in complex with TO

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	2018-04-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	H 3 2
Unit cell lengths	128.611, 128.611, 40.843
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.346 - 2.901
R-factor	0.2401
Rwork	0.234
R-free	0.29310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e81
RMSD bond length	0.008
RMSD bond angle	1.451
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]	38.350	38.350	2.920
High resolution limit [Å]	2.850	12.750	2.850
Rmerge	0.086	0.028	1.049
Rmeas	0.088	0.028	1.079
Rpim	0.020	0.007	0.250
Total number of observations	58519
Number of reflections	3104	42	244
<I/σ(I)>	16.3
Completeness [%]	100.0	98	100
Redundancy	18.9	15.5	18
CC(1/2)	1.000	1.000	0.684

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 thiazole orange