3T8T

Crystal structure of Staphylococcus aureus CymR oxidized form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	77.328, 52.576, 33.449
Unit cell angles	90.00, 98.12, 90.00

Refinement procedure

Resolution	19.138 - 1.752
R-factor	0.2173
Rwork	0.214
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.046
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.138	1.810
High resolution limit [Å]	1.752	1.752
Number of reflections	13355
Completeness [%]		99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1M Lithium sulfate monohydrate, 0.1M Sodium citrate tribasic dihydrate pH 5.6, 12% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K