26VK

Crystal structure of Dihydroxyacetone kinase from Komagataella pastoris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	106.349, 114.283, 122.815
Unit cell angles	64.50, 76.43, 75.10

Refinement procedure

Resolution	38.750 - 2.880
R-factor	0.2236
Rwork	0.223
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DIALS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (2.0_5848)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.880	2.880
Number of reflections	111659	8225
<I/σ(I)>	7.1	1.3
Completeness [%]	98.8
Redundancy	5.3
CC(1/2)	0.933	0.304

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG4000, NaCl, Glycerol