4OH1

Crystal structure of a putative zinc-binding dehydrogenase (gutB) from Clostridium scindens ATCC 35704 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97939,0.96109,0.97919
Spacegroup name	I 2 2 2
Unit cell lengths	63.870, 85.597, 149.087
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.355 - 2.000
R-factor	0.1705
Rwork	0.168
R-free	0.21590
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.779
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.355		2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.050	0.023	0.609
Number of reflections	27920	5265	4803
<I/σ(I)>	10.15	30.5	1.4
Completeness [%]	97.8	97.3	92.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.75	293	0.2M magnesium chloride, 24.0% polyethylene glycol 400, 0.1M HEPES pH 6.75, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K