8AMN

Crystal structure of AUGUGGCAU duplex with strontium ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.917143
Spacegroup name	P 1 21 1
Unit cell lengths	28.102, 90.131, 138.182
Unit cell angles	90.00, 91.39, 90.00

Refinement procedure

Resolution	46.050 - 2.460
R-factor	0.2032
Rwork	0.199
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8amg
RMSD bond length	0.006
RMSD bond angle	1.085
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]	46.060	2.610
High resolution limit [Å]	2.460	2.460
Rmerge	0.044	0.893
Number of reflections	48753	7866
<I/σ(I)>	14.36	1.27
Completeness [%]	99.1
Redundancy	3.5
CC(1/2)	0.999	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.08 M NaCl 0.02 M BaCl2 0.04 M cacodylate sodium 45% MPD 0.012 M spermine