38LJ

Crystal structure of an adenylate kinase from Leishmania major (Tetragonal form, ADP and AMP bound)

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	2026-06-20
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 41 21 2
Unit cell lengths	45.181, 45.181, 241.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.410 - 1.400
R-factor	0.154
Rwork	0.152
R-free	0.18850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.131
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.2_6151: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.270	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.063	1.308
Rmeas	0.064	1.370
Rpim	0.013	0.392
Total number of observations	1191965	41829
Number of reflections	50993	3636
<I/σ(I)>	28.9	1.6
Completeness [%]	100.0
Redundancy	23.4	11.5
CC(1/2)	0.994	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Morpheus E9: 20%(v/v) PEG 500 MME, 10%(w/v) PEG 20000, 100 mM Tris/BICINE, pH 8.5, 30 mM Diethylene glycol, 30 mM Triethyleneglycol, 30 mM Tetraethylene glycol and 30 mM Pentaethylene glycol, LemaA.00628.a.B2.PW39538 at 20.6 mg/mL. plate 21209 B6 drop 2, Soak in 5 mM AMP in crystallant, ADP and AMP bound, Puck: PSL-1907, Cryo: direct