5CV2

Structural implications of homo-pyrimidine base pairs on the parallel-stranded d(GAY) motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	25.582, 25.582, 386.453
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.155 - 2.693
R-factor	0.2673
Rwork	0.265
R-free	0.29680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rim
RMSD bond length	0.002
RMSD bond angle	0.350
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	128.790	128.790	2.840
High resolution limit [Å]	2.690	8.510	2.690
Rmerge	0.209	0.137	0.690
Rpim	0.059	0.046	0.292
Total number of observations	35557	1123	2143
Number of reflections	2730
<I/σ(I)>	7.5	6.6	2.1
Completeness [%]	98.5	98.3	91.8
Redundancy	13	7.9	6
CC(1/2)	0.988	0.993	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	300	Strontium chloride, MPD, Cacodylate