6RP4

CDT of SidD, deAMPylase from Legionella pneumophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.933400
Spacegroup name	P 63
Unit cell lengths	165.579, 165.579, 68.712
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.799 - 2.500
R-factor	0.2717
Rwork	0.263
R-free	0.29610
Structure solution method	SIRAS
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.799	47.799	2.640
High resolution limit [Å]	2.490	7.380	2.490
Rmerge	0.096	0.025	1.912
Rmeas	0.101	0.026	2.001
Total number of observations	432311
Number of reflections	37987	1521	6078
<I/σ(I)>	21.76	75.47	1.51
Completeness [%]	99.8	99.1	99.4
Redundancy	11.38	10.341	11.359
CC(1/2)	1.000	1.000	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	2.0M NaCl, 0.1M sodium acetate (pH 4.6) and 20% glycerol.