7OUE

Crystal structure of a trapped Pab-AGOG/single-standed DNA covalent intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 1
Unit cell lengths	39.743, 74.259, 101.726
Unit cell angles	92.48, 100.74, 105.46

Refinement procedure

Resolution	71.230 - 2.040
R-factor	0.1777
Rwork	0.175
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xqo
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.460	2.080
High resolution limit [Å]	2.040	2.040
Rmerge	0.118	0.884
Number of reflections	68577	3476
<I/σ(I)>	11.4	2.1
Completeness [%]	98.1
Redundancy	7.3
CC(1/2)	0.997	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	spermine, MES, PEG 400