9ZMX

Crystal structure of an Iole protein from Brucella melitensis (cobalt complex)

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	2025-10-03
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	48.203, 73.739, 81.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.430 - 2.300
R-factor	0.193
Rwork	0.190
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.572
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5904: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.159	1.298
Rmeas	0.168	1.363
Rpim	0.052	0.411
Total number of observations	133007	13621
Number of reflections	13404	1293
<I/σ(I)>	10.1	1.9
Completeness [%]	100.0
Redundancy	9.9	10.5
CC(1/2)	0.998	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	crystal screen C4: 0.2M Na acetate, 0.1M Na cacodylate pH 6.5, 30% PEG 8000. BrmeA.18154.a.B2.PW39413 at 8 mg/mL. Overnight soak in 20mM Cobalt Chloride. plate 20331 C4 drop 1, Puck: PSL-0704, Cryo: direct