7EI8

RNA kink-turn motif with 2-aminopurine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.60499
Spacegroup name	C 1 2 1
Unit cell lengths	115.124, 42.895, 56.269
Unit cell angles	90.00, 116.04, 90.00

Refinement procedure

Resolution	48.260 - 3.100
R-factor	0.2026
Rwork	0.196
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c40
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.260	48.260	3.180
High resolution limit [Å]	3.100	13.880	3.100
Rmerge	0.066	0.038	0.334
Rmeas	0.072	0.041	0.362
Total number of observations	29309
Number of reflections	4510	60	326
<I/σ(I)>	17	32.66	4.48
Completeness [%]	97.1	92.3	97
Redundancy	6.499	5.567	6.61
CC(1/2)	0.999	1.000	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium cacodylate, hexammine cobalt, MPD, potassium chloride