2X3F

Crystal Structure of the Methicillin-Resistant Staphylococcus aureus Sar2676, a Pantothenate Synthetase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-11
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	45.194, 86.560, 141.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.590 - 1.950
R-factor	0.2021
Rwork	0.200
R-free	0.23752
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v8f
RMSD bond length	0.010
RMSD bond angle	1.237
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0090)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.590	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.050	0.280
Number of reflections	39073
<I/σ(I)>	14.5	2
Completeness [%]	99.6	98
Redundancy	11.2	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		10% PEG 8000, 0.1M NA MES PH6.5, 0.2M ZN ACETATE WITH 11.5MGML-1 AMP-CPP. THE CRYSTALS WERE CRYOPROTECTED WITH OIL.