5DEV

High resolution structure of CCG DNA repeats at 1.71 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	110
Detector technology	CCD
Collection date	2014-10-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	38.228, 38.228, 54.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.030 - 1.710
R-factor	0.23
Rwork	0.227
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.028
RMSD bond angle	3.753
Phasing software	PHENIX (1.8.4-1496)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.770
High resolution limit [Å]	1.710	1.710
Rmerge	0.035	0.474
Number of reflections	4687
<I/σ(I)>	67.391	4
Completeness [%]	99.6	100
Redundancy	13.1	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277.15	50 mM Sodium cacodylate, 1 mM magnesium chloride, 3% 2-methylpentane-2,4-diol, 0.5 mM Cobalt(II) chloride