4LSW

Crystallization and Structural Analysis of 2-Hydroxyacid Dehydrogenase from Ketogulonicigenium vulgare Y25

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 1W2B
Synchrotron site	BSRF
Beamline	1W2B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-31
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	111.202, 52.333, 65.647
Unit cell angles	90.00, 107.46, 90.00

Refinement procedure

Resolution	50.000 - 1.640
R-factor	0.2129
Rwork	0.211
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ba1
RMSD bond length	0.006
RMSD bond angle	1.055
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.700
High resolution limit [Å]	1.640	4.150	1.640
Number of reflections	38014
Completeness [%]	85.0	99	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	23% PEG 3350, 0.2M MgCl, 0.1M pH 7.0 HEPES, VAPOR DIFFUSION, SITTING DROP, temperature 298K