3JZD

Crystal structure of Putative alcohol dehedrogenase (YP_298327.1) from RALSTONIA EUTROPHA JMP134 at 2.10 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-19
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 31 2 1
Unit cell lengths	143.841, 143.841, 169.011
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.709 - 2.100
R-factor	0.176
Rwork	0.174
R-free	0.21000
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.652
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.709	29.709	2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.123	0.034	0.830
Number of reflections	117762	22839	21196
<I/σ(I)>	8.98	28	1.5
Completeness [%]	99.5	99	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1900M CaCl2, 5.0000% Glycerol, 26.6000% PEG-400, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K