4ELX

Structure of apo E.coli. 1,4-dihydroxy-2- naphthoyl CoA synthases with Cl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	76.470, 133.878, 153.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.389 - 2.191
R-factor	0.1703
Rwork	0.167
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.032
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	37.400
High resolution limit [Å]	2.190
Number of reflections	81295

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	300mM NaCl, 20% PEG 3350, 100mM Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K