2PGO

The crystal structure of FAD and ThDP dependent Cyclohexane-1,2-dione Hydrolase (Cdh) from Azoarcus sp. strain 22Lin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.939
Spacegroup name	P 41 21 2
Unit cell lengths	123.600, 123.600, 144.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 1.260
R-factor	0.09782
Rwork	0.097
R-free	0.11963
Structure solution method	MAD, MIRAS
RMSD bond length	0.019
RMSD bond angle	2.014
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.300
High resolution limit [Å]	1.200	1.200
Rmerge	0.063	0.115
Number of reflections	259345
<I/σ(I)>	12	5.1
Completeness [%]	77.0	14
Redundancy	2.48	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	60% MPD, 0.02M sodium acetate, 0.2M NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	60% MPD, 0.02M sodium acetate, 0.2M NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	60% MPD, 0.02M sodium acetate, 0.2M NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	60% MPD, 0.02M sodium acetate, 0.2M NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	60% MPD, 0.02M sodium acetate, 0.2M NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K