9ZAV

Crystal structure of Formyl-coenzyme A transferase from Brucella melitensis in complex with succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-07
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 43 21 2
Unit cell lengths	189.590, 189.590, 199.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.190 - 2.880
R-factor	0.1934
Rwork	0.192
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.620
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5819: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.190	2.950
High resolution limit [Å]	2.880	2.880
Rmerge	0.208	2.636
Rmeas	0.212	2.684
Rpim	0.041	0.499
Total number of observations	2185858	171351
Number of reflections	82434	6011
<I/σ(I)>	18	1.7
Completeness [%]	100.0
Redundancy	26.5	28.5
CC(1/2)	0.999	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	Index C10: 1.0M Succinic acid pH 7.0, 0.1M HEPES pH 7.0, 1% PEG 200mme. BrmeA.18114.b.B2.PW39356 at 20.7 mg/mL. Succinate in 3 subunits was acquired from the crystallant. plate 19820 C10 drop 1, Puck: PSL-2010, Cryo: 20% PEG 200 + 80% crystallant