6C29

Crystal structure of the N-terminal periplasmic domain of ScsB from Proteus mirabilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	69.977, 97.061, 110.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.098 - 1.538
R-factor	0.1738
Rwork	0.173
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.332
Data reduction software	XDS
Data scaling software	Aimless (0.5.8)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.061	1.544
High resolution limit [Å]	1.538	1.538
Rmerge	0.146	2.114
Rmeas	0.150	2.180
Rpim	0.038	0.531
Number of reflections	111511	1094
<I/σ(I)>	16
Completeness [%]	99.7	98.3
Redundancy	15.8	16.3
CC(1/2)	0.998	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M MES monohydrate pH 6, 6% v/v tacsimate pH 6, 24% PEG4000, 4% 1,3-butanediol