7UYP

Crystal structure of B-form alien DNA 5'-CTTZZPBSBSZPPAAG 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	54.978, 145.756, 46.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.489 - 1.500
R-factor	0.2168
Rwork	0.216
R-free	0.23450
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 (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.880	72.880	1.590
High resolution limit [Å]	1.500	4.770	1.510
Rmerge	0.050	0.045	0.593
Rmeas	0.055	0.050	0.645
Rpim	0.022	0.020	0.252
Total number of observations		12097	54727
Number of reflections	60881	2075	8586
<I/σ(I)>	17.4	33.8	2.7
Completeness [%]	99.7	98.8	99.7
Redundancy	6.4	5.8	6.4
CC(1/2)	0.998	0.996	0.876

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