3PP8

2.1 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	40.495, 139.371, 111.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.510 - 2.100
R-factor	0.19865
Rwork	0.197
R-free	0.23508
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kbo
RMSD bond length	0.013
RMSD bond angle	1.396
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.074	0.486
Number of reflections	18836
<I/σ(I)>	39.3	3.8
Completeness [%]	99.9	100
Redundancy	6.1	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	Protein solution: 0.3M Sodium chloride, 10mM HEPES (pH 7.5). Screen solution: 0.2M Sodium acetate, 0.1M Bis-Tris (pH 6.5), 0.01M Glycolic acid, 30% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 295K