5JEZ

Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Ser

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-23
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	41.150, 65.550, 88.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.410 - 1.700
R-factor	0.15
Rwork	0.149
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aie
RMSD bond length	0.033
RMSD bond angle	2.514
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge		0.475
Number of reflections	26908
<I/σ(I)>	15.88	4.45
Completeness [%]	98.4	96.9
Redundancy	7.24	7.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	6% PEG-8000, 100mM Na Cacodylate pH6.5, 350mM Zn acetate