8AMJ

Crystal structure of unliganded AUGUGGCAU duplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.89429
Spacegroup name	H 3
Unit cell lengths	49.124, 49.124, 69.729
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.970 - 2.020
R-factor	0.2015
Rwork	0.197
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ami
RMSD bond length	0.007
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.970	2.140
High resolution limit [Å]	2.020	2.020
Rmerge	0.061	0.722
Number of reflections	4105	653
<I/σ(I)>	16.78	1.88
Completeness [%]	99.8
Redundancy	5.6
CC(1/2)	0.999	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	292	10mM AcOMg 50mM MES pH5.6 2.5M AS