7PV8

InlB392_T332E: T332E variant of Listeria monocytogenes InlB (internalin B) residues 36-392

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-18
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	44.580, 54.590, 226.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.150 - 2.050
R-factor	0.1885
Rwork	0.186
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h6t 2y5p
RMSD bond length	0.008
RMSD bond angle	0.829
Data reduction software	XDS (VERSION Jun 1, 2017 BUILT=20170923)
Data scaling software	XSCALE (VERSION Jun 1, 2017 BUILT=20170923)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.050	2.050
Rmeas	0.122	1.956
Number of reflections	35861	2598
<I/σ(I)>	16.56	1.74
Completeness [%]	99.9	100
Redundancy	13.5	13.8
CC(1/2)	0.999	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	Reservoir solution (Morpheus screen (Molecular Dimensions) condition G2): 0.1 M (imidazole / MES), pH 6.5; 20 % v/v ethylene glycol; 10 % w/v PEG 8,000; 0.02 M sodium formate; 0.02 M ammonium acetate; 0.02 M sodium citrate tribasic dehydrate; 0.02 M sodium potassium tartrate tetrahydrate; 0.02 M sodium oxamate; Protein solution: 10 mg/ml in 10 mM Tris, pH 8.0, 20 mM NaCl; Drop size: 100 nl + 100 nl (protein + reservoir)