7OXY

Crystal structure of depupylase Dop in complex with Pup and AMP-PCP

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	106.668, 106.668, 108.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.189 - 1.650
R-factor	0.1742
Rwork	0.173
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lrt
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.190	1.709
High resolution limit [Å]	1.650	1.650
Number of reflections	86165	8506
<I/σ(I)>	21.3
Completeness [%]	100.0
Redundancy	20.2
CC(1/2)	1.000	0.746

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 AMP-PCP, 40 mM MgCl2 and 0.75-1.0 M KH2PO4