3HWO

Crystal structure of Escherichia coli enterobactin-specific isochorismate synthase EntC in complex with isochorismate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	62.469, 104.795, 140.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.600 - 2.300
R-factor	0.20271
Rwork	0.200
R-free	0.25559
Structure solution method	SIR
RMSD bond length	0.010
RMSD bond angle	1.443
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.600
High resolution limit [Å]	2.300	2.300
Number of reflections	41380
Completeness [%]	99.0	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M MES pH 6.5, 12% PEG 20,000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M MES pH 6.5, 12% PEG 20,000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K