5WKQ

2.10 A resolution structure of IpaB (residues 74-242) from Shigella flexneri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	I 4
Unit cell lengths	171.429, 171.429, 40.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.873 - 2.100
R-factor	0.2027
Rwork	0.201
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u0c
Data reduction software	Aimless
Data scaling software	Aimless (0.5.32)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.860	42.860	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.091	0.060	0.981
Total number of observations	233850	3156	18814
Number of reflections	34988	504	2862
<I/σ(I)>	11.1	28.1	2
Completeness [%]	99.8	96.4	100
Redundancy	6.7	6.3	6.6
CC(1/2)	0.997	0.997	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	0.2 M ammonium acetate, 0.1 M sodium acetate (pH 4.0) and 15% (w/v) PEG 4000