7OXV

Crystal structure of depupylase Dop in the Dop-loop-inserted state

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	2017-05-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	72.533, 72.533, 184.149
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.037 - 1.394
R-factor	0.1353
Rwork	0.134
R-free	0.16920
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]	46.040	1.444
High resolution limit [Å]	1.390	1.390
Number of reflections	98553	9612
<I/σ(I)>	26.76
Completeness [%]	99.8	98.99
Redundancy	25.2	22.6
CC(1/2)	1.000	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	14-20 % (w/v) PEG 3350, 100 mM Bis-Tris propane pH 6.0-6.5 and 100-200 mM potassium thiocyanate (KSCN)