39PS

Crystal structure of a cytidylate kinase from Mycobacterium tuberculosis (CMP complex)

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	125.391, 49.628, 94.788
Unit cell angles	90.00, 127.35, 90.00

Refinement procedure

Resolution	44.430 - 1.950
R-factor	0.2015
Rwork	0.199
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.034
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.2.1_6174: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.580	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.051	1.095
Rmeas	0.055	1.192
Rpim	0.021	0.467
Total number of observations	232118	15402
Number of reflections	34040	2395
<I/σ(I)>	18.2	1.6
Completeness [%]	99.9
Redundancy	6.8	6.4
CC(1/2)	0.999	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	JCSG+ C6: 100 mM Potassium phosphate citrate, pH 4.2, 40% v/v PEG 300, MytuD.00663.a.B2.PW39481 at 14 mg/mL. with Cytidine 5'-monophosphate (CMP) added to 3 mM before crystallization. Plate 20615 C6 drop 2. puck PSL1705, Cryo: direct