3HCW

CRYSTAL STRUCTURE OF PROBABLE maltose operon transcriptional repressor malR FROM STAPHYLOCOCCUS AREUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	90
Detector technology	CCD
Collection date	2009-04-30
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	46.770, 113.340, 117.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.21048
Rwork	0.208
R-free	0.27184
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.272
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	REFMAC (5.3.0034)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge		0.640
Number of reflections	50393
<I/σ(I)>	6.6	1.1
Completeness [%]	97.2	93
Redundancy	3.1	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	100MM TRIS-HCL, PH 8.5, 25% PEG3350, 200MM AMMONIUM SULFATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K