4YQY

Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028) (TARGET EFI-513936) in its APO form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-24
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	84.795, 84.795, 126.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.411 - 1.381
R-factor	0.1739
Rwork	0.173
R-free	0.18620
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.115
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.400
High resolution limit [Å]	1.380	3.750	1.380
Rmerge	0.110	0.051	0.932
Rmeas	0.113	0.052	0.957
Rpim	0.025	0.012	0.218
Total number of observations	1841271
Number of reflections	94000
<I/σ(I)>	7.5
Completeness [%]	99.3	99	98.7
Redundancy	19.6	18.3	18.6
CC(1/2)		0.998	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein, 10 mM NAD; Reservoir (0.2 M Magnesium chloride, 0.1M Tris:HCl, pH 8.50, 25%(w/v) PEG 3350); Cryoprotection (100% Reservoir)