4YNN

Structure of Legionella pneumophila DegQ (S190A variant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 63
Unit cell lengths	147.909, 147.909, 383.514
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.543 - 3.200
R-factor	0.183
Rwork	0.181
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pv2
RMSD bond length	0.004
RMSD bond angle	0.862
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.543	3.280
High resolution limit [Å]	3.200	3.200
Rmerge	0.100	0.547
Number of reflections	77028
<I/σ(I)>	14.5	2.1
Completeness [%]	99.0	94.5
Redundancy	7	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	100 mM citrate pH5.5; 17.5% (w/v) PEG 400