6E81

Crystal structure of the Corn aptamer in complex with ThT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00003
Spacegroup name	H 3 2
Unit cell lengths	131.404, 131.404, 40.632
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.266 - 2.721
R-factor	0.2494
Rwork	0.248
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bjp
RMSD bond length	0.006
RMSD bond angle	1.224
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.260	66.260	2.790
High resolution limit [Å]	2.720	12.170	2.720
Rmerge	0.068	0.023
Rmeas	0.069	0.023
Rpim	0.011	0.004	1.277
Total number of observations	144541
Number of reflections	3756	51	275
<I/σ(I)>	25.1
Completeness [%]	99.4	99.2	98.8
Redundancy	38.5	34.9	40.8
CC(1/2)	1.000	1.000	0.345

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	20% PEG 4000, 5% PEG400, 0.2M ammonium acetate pH 6.7, 0.1 M sodium citrate pH 5.6