7OYH

Crystal structure of depupylase Dop in complex with Pup and ADP/tetrafluoromagnesate

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	2020-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	106.827, 106.827, 107.947
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.870 - 1.750
R-factor	0.1634
Rwork	0.162
R-free	0.18450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lrt
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.870	1.813
High resolution limit [Å]	1.750	1.750
Number of reflections	72028	7143
<I/σ(I)>	17.52
Completeness [%]	99.9
Redundancy	20.1
CC(1/2)	0.999	0.798

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, 100 mM MgCl2, 10 mM NaF and 0.75-1.0 M KH2PO4