3L94

Structure of PvdQ covalently acylated with myristate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97837, 0.97887, 0.9558
Spacegroup name	C 2 2 21
Unit cell lengths	120.249, 165.501, 94.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.940 - 1.950
R-factor	0.17407
Rwork	0.173
R-free	0.19985
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.343
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.050
High resolution limit [Å]	1.950	1.950
Rmerge	0.087	0.497
Number of reflections	68757
<I/σ(I)>	13.3	2.3
Completeness [%]	100.0	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10-15% PEG4000, 50-100 mM RbCl, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K