8VV5

The crystal structure of Brucella abortus FtrA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-07-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	142.759, 58.161, 100.907
Unit cell angles	90.00, 130.06, 90.00

Refinement procedure

Resolution	38.620 - 1.840
R-factor	0.1924
Rwork	0.191
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i0v
RMSD bond length	0.004
RMSD bond angle	0.656
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]	38.620	38.620	1.920
High resolution limit [Å]	1.840	3.990	1.840
Rmeas	0.113	0.062	0.718
Rpim	0.058	0.032	0.369
Number of reflections	53016	5121	5344
<I/σ(I)>	13	16.1	1.8
Completeness [%]	97.1
Redundancy	3.6
CC(1/2)	0.992	0.992	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M ammonium acetate, 0.1 M Bis-Tris, pH 6.5, 25% PEG3350