6ZQ7

Crystal structure of Chaetomium thermophilum Glycerol Kinase in I222 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	88.600, 89.437, 131.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.432 - 2.421
R-factor	0.1897
Rwork	0.186
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d4w
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.432	45.432	2.570
High resolution limit [Å]	2.420	7.180	2.420
Rmerge	0.080	0.041	1.330
Rmeas	0.086	0.044	1.434
Total number of observations	268223
Number of reflections	38252	1477	6069
<I/σ(I)>	12.02	37.73	1.12
Completeness [%]	99.5	99.1	97.9
Redundancy	7.012	6.679	7.107
CC(1/2)	0.999	0.999	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.125-0.3 M CaCl2; 16-19% PEG 3350