3SRA

Structure of Pseudomonas aerugionsa PvdQ covalently acylated with myristic acid from PVDIq

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	113
Detector technology	CCD
Collection date	2011-02-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	120.168, 166.622, 93.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.300 - 2.300
R-factor	0.18407
Rwork	0.182
R-free	0.21657
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l91
RMSD bond length	0.010
RMSD bond angle	1.191
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.300	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.114	0.352
Number of reflections	42380
<I/σ(I)>	12	2.9
Completeness [%]	99.4	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10-15% PEG4000, 50-100 mM rubidium chloride, 50 mM HEPES, pH 7.5. Crystal transferred through multiple pH solutions to pH 5.0 for ligand addition, VAPOR DIFFUSION, HANGING DROP, temperature 293K