6ZQ8

Crystal structure of Chaetomium thermophilum Glycerol Kinase in P3221 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 32 2 1
Unit cell lengths	92.145, 92.145, 232.954
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.040 - 2.380
R-factor	0.2456
Rwork	0.244
R-free	0.28450
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]	47.040	47.040	2.530
High resolution limit [Å]	2.380	7.070	2.380
Rmerge	0.124	0.037	1.964
Rmeas	0.127	0.039	2.017
Total number of observations	888970
Number of reflections	46200	1963	6995
<I/σ(I)>	17.95	67.05	1.49
Completeness [%]	98.8	99.6	94.3
Redundancy	19.242	17.638	19.412
CC(1/2)	0.999	0.999	0.633

Crystallization Conditions

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