3GEU

Crystal Structure of IcaR from Staphylococcus aureus, a member of the tetracycline repressor protein family

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]	110
Detector technology	CCD
Collection date	2008-12-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97624
Spacegroup name	P 21 21 2
Unit cell lengths	113.922, 121.141, 61.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.420 - 1.900
R-factor	0.184
Rwork	0.182
R-free	0.22800
RMSD bond length	0.017
RMSD bond angle	1.501
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.080	0.474
Number of reflections	67319
<I/σ(I)>		2.4
Completeness [%]	99.3	93.7
Redundancy	7.6	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	PEG3350 20%, 0.2M NH4 Formate, pH 7, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	7	298	PEG3350 20%, 0.2M NH4 Formate, pH 7, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	7	298	PEG3350 20%, 0.2M NH4 Formate, pH 7, VAPOR DIFFUSION, temperature 298K