5DH1

Structure of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca in P21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	64.406, 135.559, 80.935
Unit cell angles	90.00, 91.98, 90.00

Refinement procedure

Resolution	46.531 - 2.842
R-factor	0.186
Rwork	0.183
R-free	0.24710
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.390
Data reduction software	XDS (OSX10.9.5_Darwin13.4.0)
Data scaling software	Aimless (0.5.8)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.930	3.000
High resolution limit [Å]	2.840	2.840
Rmerge	0.136	0.648
Number of reflections	32629
<I/σ(I)>	13.7	2.5
Completeness [%]	99.7	98.6
Redundancy	5.1	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.16 M ammonium acetate 30% w/v polyethylene glycol 4,000 0.1 M sodium acetate pH 5.6