10UI

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

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	2025-04-05
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	54.267, 127.954, 224.323
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.850 - 2.340
R-factor	0.2192
Rwork	0.217
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.623
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5936: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.850	2.400
High resolution limit [Å]	2.340	2.340
Rmerge	0.268	2.036
Rmeas	0.279	2.122
Rpim	0.076	0.592
Total number of observations	889071	62410
Number of reflections	67116	4893
<I/σ(I)>	11.3	1.6
Completeness [%]	100.0
Redundancy	13.2	12.8
CC(1/2)	0.997	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	PPX D8: 0.2M Magnesium Acetate, 0.1M MES pH 6.5, 15% PEG 6000. BrmeA.18114.b.B2.PW39356 at 20.7 mg/mL. plate 19824 D8 drop 1, Puck: PSL-1911, Cryo: 20% PEG 200 + 80% crystallant