3TY7

Crystal Structure of Aldehyde Dehydrogenase family Protein from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-08
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97911
Spacegroup name	H 3
Unit cell lengths	173.448, 173.448, 96.569
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.456 - 2.400
R-factor	0.186
Rwork	0.185
R-free	0.21200
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.877
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: dev_851))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	42456
<I/σ(I)>	16.7	2
Completeness [%]	99.8	98.6
Redundancy	2.9	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.2 M Magnesium Chloride, 0.1 M Tris pH 8.5, 30 % PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 289K