6ZQ5

Crystal structure of Chaetomium thermophilum Glycerol Kinase in P2221 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 2 2 21
Unit cell lengths	63.565, 111.468, 171.252
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.710 - 2.140
Rwork	0.215
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d4w
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.710	46.710	2.270
High resolution limit [Å]	2.140	6.360	2.140
Rmerge	0.119	0.031	2.197
Rmeas	0.130	0.034	2.435
Total number of observations	374918
Number of reflections	61278	2794	8088
<I/σ(I)>	11.59	45.23	0.67
Completeness [%]	89.9	99	74.4
Redundancy	6.118	6.702	4.72
CC(1/2)	0.998	0.999	0.276

Crystallization Conditions

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