3T8R

Crystal structure of Staphylococcus aureus CymR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	77.104, 52.504, 33.443
Unit cell angles	90.00, 98.52, 90.00

Refinement procedure

Resolution	19.063 - 1.700
R-factor	0.221
Rwork	0.217
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.039
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]	19.063	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	14637
Completeness [%]		79.3

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