21VT

Crystal structure of Brucella melitensis CobT C-terminal domain with CobT-shaft truncation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	39.506, 76.630, 87.272
Unit cell angles	90.00, 101.80, 90.00

Refinement procedure

Resolution	57.040 - 1.480
R-factor	0.1638
Rwork	0.163
R-free	0.18560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.832
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.040	1.560
High resolution limit [Å]	1.480	1.480
Rmerge	0.140	0.558
Rmeas	0.128
Rpim	0.083	0.426
Number of reflections	83723	11345
<I/σ(I)>	1
Completeness [%]	98.9	89.4
Redundancy	6.4	4.9
CC(1/2)	0.992	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	Sodium citrate, PEG 4000, Isopropanol