8CIL

Crystal structure of Coxiella burnetii Fic protein 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976247
Spacegroup name	P 1 21 1
Unit cell lengths	69.621, 124.378, 71.636
Unit cell angles	90.00, 98.13, 90.00

Refinement procedure

Resolution	46.760 - 1.980
R-factor	0.1878
Rwork	0.187
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rgl
RMSD bond length	0.017
RMSD bond angle	1.402
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.020	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.135	0.894
Number of reflections	83795	4586
<I/σ(I)>	5.3	1.4
Completeness [%]	99.9	100
Redundancy	4.3	4.1
CC(1/2)	0.980	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	0.1M Tris pH8.5 20% PEG 1000