37FC

Crystal Structure of cytidylate kinase from Mycobacterium tuberculosis

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	2026-04-04
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	124.636, 52.071, 95.162
Unit cell angles	90.00, 126.62, 90.00

Refinement procedure

Resolution	46.580 - 2.050
R-factor	0.2014
Rwork	0.199
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.566
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (2.1_6048)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.580	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.062	1.251
Rmeas	0.067	1.351
Rpim	0.026	0.507
Number of reflections	30902	2376
<I/σ(I)>	15
Completeness [%]	99.9
Redundancy	6.8	7
CC(1/2)	0.999	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	JCSG+ D11: 70 mM sodium acetate, pH 4.6, 140 mM Calcium Chloride, 14% v/v 2-propanol, 30% v/v glycerol. MytuD.00663.a.B2.PW39481 at 14 mg/mL was combined with 5 mM ATP prior to crystallization. No electron density for ATP was observed, plate 20615 D11 drop 3 , Puck: PSL-1708, Cryo: direct