3L20

Crystal structure of a hypothetical protein from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-23
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97928
Spacegroup name	I 2 2 2
Unit cell lengths	91.668, 93.027, 94.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.834 - 2.451
Rwork	0.209
R-free	0.23700
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.528
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	2.540
High resolution limit [Å]	2.450	5.280	2.450
Rmerge	0.090	0.058	0.485
Number of reflections	15138
<I/σ(I)>	9.9
Completeness [%]	99.7	99.3	99.4
Redundancy	7.3	6.7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	298	15% PEG3350, 0.2M Mg acetate, 3% ethanol, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 298K