3KSG

structure of fRMsr of Staphylococcus aureus (complex with substrate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-02
Detector	ADSC QUANTUM 210
Wavelength(s)	1.2386
Spacegroup name	P 1 21 1
Unit cell lengths	41.582, 87.492, 42.862
Unit cell angles	90.00, 101.25, 90.00

Refinement procedure

Resolution	37.890 - 2.300
R-factor	0.222
Rwork	0.222
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vhm
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.300
Number of reflections	13036
Completeness [%]	97.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.1M MES pH6.0, 22% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 295K