11BL

Crystal Structure of a Ribokinase from Brucella suis in complex ADP (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	2025-10-04
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	78.363, 81.851, 100.634
Unit cell angles	90.00, 106.31, 90.00

Refinement procedure

Resolution	47.090 - 2.900
R-factor	0.247
Rwork	0.245
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.731
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]	47.090	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.190	1.129
Rmeas	0.206	1.227
Rpim	0.079	0.473
Total number of observations	183528	28869
Number of reflections	27251	4355
<I/σ(I)>	7.8	1.7
Completeness [%]	99.8
Redundancy	6.7	6.6
CC(1/2)	0.996	0.800

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 but only ADP was bound. Clover_Plate B6, BK 6, pg 3, Puck: PSL-1507, Cryo: 2.5M LiSO4