4XNO

Crystal structure of 5'-CTTATPPPZZZATAAG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2014-07-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.91963
Spacegroup name	P 32 2 1
Unit cell lengths	42.019, 42.019, 140.472
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.227 - 1.985
R-factor	0.2137
Rwork	0.212
R-free	0.23760
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.829
Data scaling software	SCALEPACK
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.069	0.041	0.768
Rmeas	0.072	0.043	0.843
Rpim	0.022	0.013	0.339
Total number of observations	105588
Number of reflections	10571
<I/σ(I)>	20
Completeness [%]	99.5	92.5	98.8
Redundancy	10	9.4	5.6
CC(1/2)		0.998	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium sulfate