6YK0

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

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	278.600, 53.021, 109.851
Unit cell angles	90.00, 91.75, 90.00

Refinement procedure

Resolution	47.160 - 2.900
R-factor	0.2347
Rwork	0.234
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yxt
RMSD bond length	0.005
RMSD bond angle	0.731
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]	47.160	3.030
High resolution limit [Å]	2.900	2.900
Rmerge	0.100	0.739
Rmeas	0.083	0.631
Rpim	0.068	0.488
Number of reflections	36069	3532
<I/σ(I)>	9.3	1.6
Completeness [%]	99.7	99.7
Redundancy	3.4	3.5
CC(1/2)	0.995	0.600

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