5ZAT

Crystal structure of 5-carboxylcytosine containing decamer dsDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	180
Detector technology	PIXEL
Collection date	2016-06-13
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.9676
Spacegroup name	P 1 21 1
Unit cell lengths	22.465, 36.333, 30.215
Unit cell angles	90.00, 100.17, 90.00

Refinement procedure

Resolution	29.740 - 1.060
R-factor	0.1573
Rwork	0.156
R-free	0.18140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.802
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.100
High resolution limit [Å]	1.060	1.060
Number of reflections	21838
<I/σ(I)>	26.12
Completeness [%]	98.0
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	50mM sodium succinat pH 5.5, 20mM MgCl2, 0.5mM spermine, 3.0 ammonium sulfate