13JB

Crystal Structure of a Ribokinase from Brucella suis in complex ATP (P21 form)

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 1 21 1
Unit cell lengths	50.457, 78.895, 78.120
Unit cell angles	90.00, 108.17, 90.00

Refinement procedure

Resolution	74.230 - 2.600
R-factor	0.2046
Rwork	0.203
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.544
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]	78.890	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.173	1.107
Rmeas	0.192	1.227
Rpim	0.081	0.519
Total number of observations	97804	7094
Number of reflections	17992	1326
<I/σ(I)>	10.2	2.1
Completeness [%]	99.7
Redundancy	5.4	5.3
CC(1/2)	0.993	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	Grid Salt screen B1: 2.4 M AmSO4 + 0.3 M Tri-Sodium Citrate pH 4.0. BrsuA.01141.a.B2.PW39414 at 19.5 mg/mL. 2 mM ATP and MgCl2 were added prior to crystallization. CloverPlate A3/apo B6, pg 3, Puck: PSL-0713, Cryo: 2.5M LiSO4