9ZMW

Crystal structure of a Iole protein from Brucella melitensis (orthorhombic P form 2)

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	48.515, 72.154, 239.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.550 - 2.300
R-factor	0.1877
Rwork	0.185
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.587
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]	48.510	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.159	1.062
Rmeas	0.173	1.161
Rpim	0.069	0.466
Total number of observations	240619	22701
Number of reflections	38546	3690
<I/σ(I)>	9.4	1.8
Completeness [%]	100.0
Redundancy	6.2	6.2
CC(1/2)	0.996	0.664

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. plate 20331 C4 drop 1, Puck: PSL-0701, Cryo: direct