4XPC

Crystal structure of 5'- CTTATAAATTTATAAG in a host-guest complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	93
Detector technology	PIXEL
Collection date	2014-11-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97933
Spacegroup name	P 21 21 2
Unit cell lengths	54.636, 145.273, 46.801
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.692 - 1.680
R-factor	0.2166
Rwork	0.215
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.964
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.050	29.050	1.710
High resolution limit [Å]	1.680	9.050	1.680
Rmerge	0.030	0.016	0.431
Rpim	0.017	0.009	0.230
Total number of observations	183063	1261	9541
Number of reflections	43118
<I/σ(I)>	24.8	69.5	3.4
Completeness [%]	99.3	96.7	99.3
Redundancy	4.2	3.8	4.4
CC(1/2)	0.999	0.999	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 4000