9ZM4

Crystal structure of a Heat shock protein (DnaJ) from Brucella melitensis

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	2025-09-20
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	74.476, 94.294, 150.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.200 - 3.090
R-factor	0.2439
Rwork	0.241
R-free	0.29350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.682
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5896: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.150	3.170
High resolution limit [Å]	3.090	3.090
Rmerge	0.173	2.360
Rmeas	0.180	2.450
Rpim	0.050	0.652
Total number of observations	262150	20391
Number of reflections	20146	1460
<I/σ(I)>	11.5	1.4
Completeness [%]	99.9
Redundancy	13	14
CC(1/2)	0.998	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	Index D3: 0.10M HEPS pH 7.0, 30% Jeffamine ED-2001 pH 7.0. BrabA.17366.a.B2.PW39412 at 11.5 mg/mL. plate 20045 D3 drop 2, Puck: PSL-0409, Cryo: direct