9LZG

Crystal structure of glycerol kinase from Entamoeba histolytica complexed with daphnetin.

This is a non-PDB format compatible entry.

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	2022-05-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	P 21 21 21
Unit cell lengths	57.833, 81.131, 204.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.910 - 1.500
R-factor	0.18017
Rwork	0.179
R-free	0.19988
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.505
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	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.064	0.659
Rpim	0.066	0.710
Number of reflections	153933	24309
<I/σ(I)>	14.4	2.5
Completeness [%]	99.2	98
Redundancy	6.8
CC(1/2)	0.998	0.922

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)