2X4L

Crystal structure of DesE, a ferric-siderophore receptor protein from Streptomyces coelicolor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-29
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	51.840, 57.540, 102.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.480 - 1.500
R-factor	0.18061
Rwork	0.179
R-free	0.20941
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.026
RMSD bond angle	2.124
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	SHELXCDE (SOLVE RESOLVE)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.040	0.540
Number of reflections	50077
<I/σ(I)>	29.17	4.2
Completeness [%]	100.0	100
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		FROM 2.63M SODIUM MALONATE, 0.1M BISTRIS PH 6.0, 0.24M NACL. CRYSTAL WAS CRYOPROTECTED BY 3.4M SODIUM MALONATE, 0.1M BISTRIS PH 6.0, 0.25M NACL. PHASES WERE DETERMINED BY SOAKING CRYSTAL IN 2.8M SODIUM MALONATE, 0.1M BISTRIS PH 6.0, 0.5M NABR FOR 1 MINUTE PRIOR TO CRYOPROTECTION.