6RRE

SidD, deAMPylase from Legionella pneumophila

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	2011-12-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99996
Spacegroup name	P 1 21 1
Unit cell lengths	63.570, 141.643, 234.298
Unit cell angles	90.00, 92.75, 90.00

Refinement procedure

Resolution	46.806 - 3.586
R-factor	0.2975
Rwork	0.295
R-free	0.33770
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.806	46.806	3.800
High resolution limit [Å]	3.590	10.520	3.590
Rmerge	0.127	0.037	1.222
Rmeas	0.151	0.045	1.443
Total number of observations	163031
Number of reflections	48162	1908	7457
<I/σ(I)>	6.1	24.04	0.91
Completeness [%]	98.8	96	95.6
Redundancy	3.385	3.001	3.415
CC(1/2)	0.998	0.998	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	2.88 Sodium Formate, 0.09M Tris pH 8 0.1% Anapoe 35