2X3L

Crystal Structure of the Orn_Lys_Arg decarboxylase family protein SAR0482 from Methicillin-resistant Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-25
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	50.677, 137.283, 62.258
Unit cell angles	90.00, 109.64, 90.00

Refinement procedure

Resolution	29.170 - 2.000
R-factor	0.23132
Rwork	0.229
R-free	0.27684
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.008
RMSD bond angle	1.125
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (5.5.0090)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.170	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.100	0.460
Number of reflections	50798
<I/σ(I)>	10.6	2.7
Completeness [%]	99.2	98.7
Redundancy	3.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		20% PEG4000, 0.1 M TRIS-CL, PH8.0, 0.32 M MGCL2, 0.8% ETHYLENE GLYCOL. THE CRYSTAL WAS SOAKED WITH 20 MM SAMARIUM ACETATE AND 5MM PLP. THE CRYSTALS WERE CRYOPROTECTED WITH 22% PEG4000, 0.1M TRIS-CL, PH8.0, 0.3 M MGCL2, 2.0% ETHYLENE GLYCOL, 19% PEG400 DILUTED WITH A 50MM PLP SOLUTION 1:10 (FINAL CONCENTRATIONS ABOUT 17% PEG400 AND 5MM PLP)