8UY5

[ZP] Self-assembling DNA crystal with expanded genetic code using C,A,T,G, Z and P nucleotides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979237
Spacegroup name	H 3
Unit cell lengths	106.274, 106.274, 94.462
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.080 - 3.562
R-factor	0.1526
Rwork	0.152
R-free	0.17230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.084	20.084	4.068
High resolution limit [Å]	3.562	9.801	3.562
Number of reflections	2928	195	195
<I/σ(I)>	12.3
Completeness [%]	78.3
Redundancy	11.3	11	11.4
CC(1/2)	0.999	0.999	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	100 mM MOPS, 1.25 M magnesium sulfate