5LRT

Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP and Phosphate

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	2013-08-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99998
Spacegroup name	P 31 2 1
Unit cell lengths	72.398, 72.398, 215.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.199 - 1.850
R-factor	0.168
Rwork	0.167
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 4b0r
RMSD bond length	0.011
RMSD bond angle	1.127
Data reduction software	XDS (VERSION March 30, 2013)
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.200	36.200	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.044	0.022	1.498
Rmeas	0.047
Rpim	0.016
Total number of observations	506782
Number of reflections	56972
<I/σ(I)>	24.3
Completeness [%]	100.0	98.9	100
Redundancy	8.9	8.4	9
CC(1/2)	1.000	1.000	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	18-23% (w/v) PEG 3350, 100mM bis-tris propane pH 8.25-9.0 at 20 degC, 200mM KSCN, 20mM MgCl2 and 5mM ATP