9ZPU

Crystal Structure of a Ribokinase from Brucella suis in complex with ADP

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	2025-11-01
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	225.093, 138.228, 80.872
Unit cell angles	90.00, 107.04, 90.00

Refinement procedure

Resolution	45.050 - 2.850
R-factor	0.1977
Rwork	0.195
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.697
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]	45.050	2.930
High resolution limit [Å]	2.850	2.850
Rmerge	0.112	1.273
Rmeas	0.121	1.371
Rpim	0.046	0.504
Total number of observations	381045	32877
Number of reflections	55138	4499
<I/σ(I)>	10.6	1.6
Completeness [%]	99.8
Redundancy	6.9	7.3
CC(1/2)	0.998	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	Salt RX B6: 2.0M Ammonium citrate tribasic, 0.1M Bis-Tris Propane pH 7.0. BrsuA.01141.a.B2.PW39414 at 19.5 mg/mL. 2 mM ADP ane Ribose-5-phosphate were added prior to crystallization but only ADP was bound. plate clover plate BK 6, pg 3 position D1, Puck: PSL-0516, Cryo: 2.5M LiSO4