3UUW

1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97855
Spacegroup name	P 1
Unit cell lengths	69.521, 69.535, 83.098
Unit cell angles	98.10, 106.97, 115.73

Refinement procedure

Resolution	29.970 - 1.630
R-factor	0.15985
Rwork	0.158
R-free	0.19457
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tlt
RMSD bond length	0.011
RMSD bond angle	1.351
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.660
High resolution limit [Å]	1.630	1.630
Rmerge	0.065	0.578
Number of reflections	155282
<I/σ(I)>	16.7	2.75
Completeness [%]	97.1	94.8
Redundancy	4.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	Protein solution: 0.3M Sodium chloride, 0.01M HEPES (pH 7.5), Screen solution: 0.2M Calcium chloride, 2% Glycerol, 20% PEG 3350, 0.01M NAD, VAPOR DIFFUSION, HANGING DROP, temperature 295K