9LZI

Crystal structure of glycerol kinase from Entamoeba histolytica complexed with GK-butyl.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	P 21 21 21
Unit cell lengths	57.865, 204.260, 82.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.950 - 1.890
R-factor	0.19492
Rwork	0.193
R-free	0.22468
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.449
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.890	1.890
Rmerge	0.081	1.156
Rpim	0.091
Number of reflections	78241	12328
<I/σ(I)>	13.5	2.1
Completeness [%]	99.1
Redundancy	6.8
CC(1/2)	0.999	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	20 % PEG3350, 0.2 M HCOONa, 50 mM Phosphate buffer (pH 6.8)