7OY3

Crystal structure of depupylase Dop in complex with phosphorylated Pup and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.815
Spacegroup name	P 31 2 1
Unit cell lengths	106.806, 106.806, 108.457
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.780 - 1.780
R-factor	0.1711
Rwork	0.170
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lrt
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]	47.910	1.844
High resolution limit [Å]	1.776	1.780
Number of reflections	68753	6798
<I/σ(I)>	12.56
Completeness [%]	99.8
Redundancy	20.6
CC(1/2)	0.999	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	100 mM Tris-acetate pH 7.0-8.5, 10 mM ADP, 40 mM MgCl2 and 0.75-1.0 M KH2PO4