7UYN

Crystal structure of B-form alien DNA 5'-CTTBPPBBSSZZSAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase

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	2020-04-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97933
Spacegroup name	P 21 21 2
Unit cell lengths	54.854, 146.480, 46.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.460 - 1.650
R-factor	0.2233
Rwork	0.222
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mik
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.240	73.240	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.099	0.058	1.339
Rmeas	0.104	0.060	1.402
Rpim	0.029	0.017	0.408
Total number of observations	578693	3594	26107
Number of reflections	46199	349	2255
<I/σ(I)>	14.7	29.5	2.3
Completeness [%]	99.9	99.9	99.9
Redundancy	12.5	10.3	11.6
CC(1/2)	0.998	0.997	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.05 M ADA, pH 6.5, 9% PEG4000