7DSG

Crystal structure of Brucella abortus PhiA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	PAL-XFEL BEAMLINE NCI
Synchrotron site	PAL-XFEL
Beamline	NCI
Temperature [K]	298.15
Detector technology	CCD
Collection date	2020-05-29
Detector	RAYONIX MX225-HS
Wavelength(s)	0.9795
Spacegroup name	I 2 2 2
Unit cell lengths	53.020, 62.100, 68.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.940 - 1.900
R-factor	0.2409
Rwork	0.238
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mir
RMSD bond length	0.009
RMSD bond angle	0.952
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.950	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	17157	5214
<I/σ(I)>	3.7
Completeness [%]	100.0
Redundancy	108.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287.15	2% Tacsimate pH 6.5, 0.1 M BIS-TRIS pH 6.5, 24% (w/v) PEG 3350