8VUK

The crystal structure of Brucella abortus FtrB at 1.3 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	93
Detector technology	CCD
Collection date	2021-10-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	25.811, 27.033, 30.821
Unit cell angles	83.41, 69.64, 71.81

Refinement procedure

Resolution	28.890 - 1.300
R-factor	0.1812
Rwork	0.179
R-free	0.19750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.445
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.890	28.890	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmeas	0.115	0.110	0.277
Rpim	0.060	0.058	0.159
Number of reflections	17306	1727	1673
<I/σ(I)>	10.9	10.5
Completeness [%]	94.9	95.4	90.9
Redundancy	3.7	3.7	2.5
CC(1/2)	0.962	0.962	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.1 M sodium acetate, pH 4.6, 20% v/v PEG3350, supplemented with 20 mM manganese chloride, 20 mM copper(II) sulfate