21VU

Crystal structure of Brucella melitensis CobT N-terminal domain complex with CobS small domain.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	122.846, 122.846, 148.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.700 - 2.200
R-factor	0.2106
Rwork	0.209
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.855
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.120	1.136
Number of reflections	29064	1678
<I/σ(I)>	25.6
Completeness [%]	100.0
Redundancy	13.8
CC(1/2)	1.000	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	sodium formate, glycerol