8CRZ

Crystal structure of alien DNA CTSZZPBSBSZPPBAG in a tetragonal lattice

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97933
Spacegroup name	P 42 21 2
Unit cell lengths	46.496, 46.496, 42.452
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.794 - 1.200
R-factor	0.1854
Rwork	0.184
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.500	46.500	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.048	0.051	0.209
Rmeas	0.050	0.055	0.217
Rpim	0.015	0.019	0.060
Total number of observations	181739	1002	9464
Number of reflections	15095	122	739
<I/σ(I)>	34.2	42.6	13.1
Completeness [%]	99.8	96.9	99.1
Redundancy	12	8.2	12.8
CC(1/2)	0.998	0.996	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.05 M HEPES, pH 7.0, 2.0 M ammonium sulfate