3CE9

Crystal structure of glycerol dehydrogenase (NP_348253.1) from Clostridium acetobutylicum at 2.37 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.91840, 0.97953, 0.97939
Spacegroup name	C 1 2 1
Unit cell lengths	102.740, 125.810, 133.230
Unit cell angles	90.00, 102.33, 90.00

Refinement procedure

Resolution	28.940 - 2.370
R-factor	0.189
Rwork	0.188
R-free	0.21400
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.330
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.940	28.940	2.450
High resolution limit [Å]	2.370	5.080	2.370
Rmerge	0.050	0.030	0.401
Number of reflections	66387	12777	11600
<I/σ(I)>	8.2	18.5	1.8
Completeness [%]	96.9	94.5	91.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	NANODROP, 0.2M NaCl, 20.0% PEG 3000, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K