9P6Q

Mouse Ketohexokinase-A without ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	93.15
Detector technology	PIXEL
Collection date	2023-08-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	C 2 2 21
Unit cell lengths	42.066, 78.659, 150.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.190 - 1.370
R-factor	0.1506
Rwork	0.149
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.778
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER ((1.21.2-5419-000))
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.190	1.400
High resolution limit [Å]	1.370	1.370
Rmerge	0.082	0.576
Number of reflections	52657	3500
<I/σ(I)>	13.01	1.83
Completeness [%]	99.2	91.88
Redundancy	9.1	1.83
CC(1/2)	0.998	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290.15	0.1 M Sodium malonate pH 4.0, 12% w/v Polyethylene glycol 3,350