5Y9G

Crystal structure of Salmonella SafD adhesin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-10
Detector	MAR CCD 165 mm
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	32.300, 49.710, 148.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.150 - 2.200
R-factor	0.2006
Rwork	0.199
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ixq
RMSD bond length	0.003
RMSD bond angle	0.666
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.400	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.195	0.679
Number of reflections	11971
<I/σ(I)>	6.8
Completeness [%]	98.0	88.5
Redundancy	4	4.3
CC(1/2)		0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG8000