7MX5

Crystal structure of TolB from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-01-22
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	43.498, 98.443, 83.832
Unit cell angles	90.00, 92.07, 90.00

Refinement procedure

Resolution	29.630 - 2.420
R-factor	0.1963
Rwork	0.194
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w8b
RMSD bond length	0.003
RMSD bond angle	0.667
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	BALBES
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.460
High resolution limit [Å]	2.420	2.420
Rmerge	0.085	0.458
Rpim	0.052
Number of reflections	26751	1131
<I/σ(I)>	10.63	1.09
Completeness [%]	98.8	84.7
Redundancy	3.5	2.1
CC(1/2)		0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	1.1 M sodium/potassium tartrate, 0.1 M Tris pH 8.5, 2% (w/v) PEG 400