3PV5

Structure of Legionella fallonii DegQ (N189G/P190G variant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	H 3
Unit cell lengths	137.110, 137.110, 326.911
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.460 - 2.400
R-factor	0.23379
Rwork	0.231
R-free	0.28460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pv2
RMSD bond length	0.022
RMSD bond angle	1.851
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]	111.610	43.953	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.027	0.569
Total number of observations		15856	65692
Number of reflections	89543
<I/σ(I)>	14.6	22	1.4
Completeness [%]	99.9	99.1	99.9
Redundancy	5.4	5.6	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	32% (v/v) PEG 400, 100 mM MES pH 6.5, vapor diffusion, sitting drop, temperature 292K