7XUY

Crystal structure of 5-chloro-2-hydroxymuconate tautomerase CnbG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2007-12-11
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	H 3 2
Unit cell lengths	81.407, 81.407, 63.678
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.840 - 2.001
Rwork	0.178
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4faz
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.14_3260)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.260	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.049	0.524
Rmeas	0.055	0.580
Number of reflections	5614	409
<I/σ(I)>	18.5	3.2
Completeness [%]	99.9
Redundancy	5.4
CC(1/2)	0.997	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	310.15	2M (NH4)2SO4, 0.1 M Tris