4YO1

Structure of Legionella pneumophila DegQ (delta PDZ2 variant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	H 3
Unit cell lengths	110.870, 110.870, 68.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.038 - 2.800
R-factor	0.2216
Rwork	0.219
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pv2
RMSD bond length	0.008
RMSD bond angle	1.044
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.040	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.120	0.510
Number of reflections	7696
<I/σ(I)>	8.1	2.2
Completeness [%]	99.2	100
Redundancy	4.2	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	100 mM sodium acetate (pH 4.5), 50 mM CdCl2, 28% PEG 400