8VV6

The crystal structure of Brucella abortus FtrA-H151A mutant

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	2021-03-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	143.158, 57.675, 101.027
Unit cell angles	90.00, 130.10, 90.00

Refinement procedure

Resolution	36.530 - 1.550
R-factor	0.1732
Rwork	0.173
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i0v
RMSD bond length	0.005
RMSD bond angle	0.813
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]	36.530	36.530	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmeas	0.107	0.072	0.858
Rpim	0.044	0.029	0.380
Number of reflections	89988	9179	8944
<I/σ(I)>	15.7		2.32
Completeness [%]	98.3
Redundancy	5.5
CC(1/2)	0.996	0.996	0.782

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