3KBY

Crystal structure of hypothetical protein from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-07
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97930
Spacegroup name	P 1 21 1
Unit cell lengths	39.640, 69.230, 59.951
Unit cell angles	90.00, 105.29, 90.00

Refinement procedure

Resolution	21.140 - 1.800
R-factor	0.177
Rwork	0.176
R-free	0.20100
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.151
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.840
High resolution limit [Å]	1.800	4.440	1.800
Rmerge	0.101	0.071	0.457
Number of reflections	28441
<I/σ(I)>	8
Completeness [%]	97.8	98.5	93.3
Redundancy	7.4	7.2	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	298	20% PEG8000, 0.2M magnesium chloride, 0.11M ammonium sulfate, 0.1M TRIS pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K