8Y1T

CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI GAMBIENSE GLYCEROL KINASE COMPLEX WITH ADP and G3P

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	2018-11-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.900000
Spacegroup name	P 21 21 21
Unit cell lengths	62.563, 121.741, 154.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.860 - 2.400
R-factor	0.19518
Rwork	0.192
R-free	0.24982
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j9v
RMSD bond length	0.011
RMSD bond angle	1.565
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	2.550
High resolution limit [Å]	2.400	2.400
Rmerge	0.054	0.719
Number of reflections	45369	14161
<I/σ(I)>	18.5	2
Completeness [%]	99.8	99.1
Redundancy	13.6	12.2
CC(1/2)	0.999	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	8-18% PEG 400, 0.1M HEPES, 11% 1,6-HEXANEDIOL, PH 7.5