3PV2

Structure of Legionella fallonii DegQ (wt)

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	2009-05-27
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	H 3
Unit cell lengths	136.700, 136.700, 327.001
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.930 - 2.150
R-factor	0.21335
Rwork	0.211
R-free	0.25056
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cs0
RMSD bond length	0.022
RMSD bond angle	1.918
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	111.320	37.105	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge		0.018	0.424
Number of reflections	121567
<I/σ(I)>	10.3	18.7	1.7
Completeness [%]	98.1	86.6	99.7
Redundancy	2	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	29.5% (v/v) PEG 400, 100 mM MES pH 6.5, vapor diffusion, sitting drop, temperature 292K