8CRY

Crystal structure of alien DNA CTSZZPBSBSZPPBAG in an orthorhombic 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 21 21 21
Unit cell lengths	41.052, 45.799, 50.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.129 - 1.200
R-factor	0.2153
Rwork	0.214
R-free	0.23750
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]	45.800	45.800	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.065	0.066	0.663
Rmeas	0.072	0.073	0.809
Rpim	0.030	0.031	0.453
Total number of observations	175100	1204	3993
Number of reflections	30144	228	1318
<I/σ(I)>	13.5	24	1.7
Completeness [%]	99.0	98.4	89.7
Redundancy	5.8	5.3	3
CC(1/2)	0.995	0.990	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.05 M ADA, pH 6.5, 20% MPD