6LOL

The crystal structure of full length IpaH9.8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	I 2 2 2
Unit cell lengths	106.640, 122.250, 149.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.910 - 2.750
R-factor	0.248
Rwork	0.246
R-free	0.28490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b0t
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.910	2.848
High resolution limit [Å]	2.750	2.750
Rmerge	0.080
Rmeas	0.087
Number of reflections	25746	2524
<I/σ(I)>	15.74	2.56
Completeness [%]	99.5	99.41
Redundancy	6.6	7
CC(1/2)	0.994	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	3.0M NaCl, 0.1M Na Citrate, pH 6.5