6PNV

1.42 Angstrom Resolution Crystal Structure of Translocation Protein TolB from Salmonella enterica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	63.894, 40.570, 77.994
Unit cell angles	90.00, 111.61, 90.00

Refinement procedure

Resolution	29.700 - 1.420
R-factor	0.1635
Rwork	0.162
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w8b
RMSD bond length	0.006
RMSD bond angle	1.423
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.054	0.622
Rmeas	0.062	0.726
Rpim	0.029	0.368
Number of reflections	67628	3512
<I/σ(I)>	22.8	2.1
Completeness [%]	96.2	100
Redundancy	4.2	3.8
CC(1/2)		0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	Protein: 5.2 mg/ml, 0.01M Tris HCl (pH 8.3); Screen: PACT (G4), 0.2 M Potassium thiocyanate, 0.1 M Bis Tris propane pH 7.5, 20% (w/v) PEG 3350.