2E7Z

Acetylene Hydratase from Pelobacter acetylenicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-02
Detector	MAR CCD 165 mm
Wavelength(s)	1.738
Spacegroup name	C 1 2 1
Unit cell lengths	120.776, 71.971, 106.760
Unit cell angles	90.00, 124.26, 90.00

Refinement procedure

Resolution	30.630 - 1.260
R-factor	0.16132
Rwork	0.160
R-free	0.19512
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.412
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.350
High resolution limit [Å]	1.260	1.260
Rmerge	0.036	0.333
Number of reflections	194301
<I/σ(I)>	19.6	1.91
Completeness [%]	95.5	92.5
Redundancy	1.85	1.65

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	21% PEG 8000, 0.3M MgAcetate, 0.1M NaCacodylate, 0.04M NaAzide, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	21% PEG 8000, 0.3M MgAcetate, 0.1M NaCacodylate, 0.04M NaAzide, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K