6YK1

Crystal structure of mouse pyridoxal kinase in complex with ATP-gamma-S and artesunate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9724
Spacegroup name	C 1 2 1
Unit cell lengths	279.380, 53.037, 110.149
Unit cell angles	90.00, 91.64, 90.00

Refinement procedure

Resolution	47.200 - 2.400
R-factor	0.2113
Rwork	0.209
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yxt
RMSD bond length	0.002
RMSD bond angle	0.550
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.046	1.069
Rpim	0.053	0.704
Number of reflections	63594	6235
<I/σ(I)>	8.1	1.1
Completeness [%]	1.0	99.6
Redundancy	3.4	3.2
CC(1/2)	0.996	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.18-0.24 M sodium thiocyanate and 18-26% PEG 3350