4FAJ

Structure and mode of peptide binding of pheromone receptor PrgZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 21 21 21
Unit cell lengths	68.622, 74.122, 112.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 1.900
R-factor	0.1575
Rwork	0.156
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.115
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.970		2.010
High resolution limit [Å]	1.900	5.660	1.900
Rmerge	0.094	0.027	0.716
Number of reflections	45969	1891	7211
<I/σ(I)>	13.79	42.78	2.28
Completeness [%]	99.6	99.6	98.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.01 M Zinc sulfate, 0.1 M MES, 25% w/v PEG 550 MME, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K