2HRO

Structure of the full-lenght Enzyme I of the PTS system from Staphylococcus carnosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	C 1 2 1
Unit cell lengths	173.364, 46.852, 85.297
Unit cell angles	90.00, 101.46, 90.00

Refinement procedure

Resolution	34.860 - 2.500
R-factor	0.2151
Rwork	0.215
R-free	0.26700
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.860	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	23570
Completeness [%]	97.4	93.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	30% PEG 4000, 0.2 M Li2SO4 and 0.1 M Tris-HCl pH8.5 and 0.2 l of additive solution (solution No 11 of Hampton Crystal Screen, Hampton Research, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	30% PEG 4000, 0.2 M Li2SO4 and 0.1 M Tris-HCl pH8.5 and 0.2 l of additive solution (solution No 11 of Hampton Crystal Screen, Hampton Research, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	30% PEG 4000, 0.2 M Li2SO4 and 0.1 M Tris-HCl pH8.5 and 0.2 l of additive solution (solution No 11 of Hampton Crystal Screen, Hampton Research, VAPOR DIFFUSION, HANGING DROP, temperature 293K