6ZQ6

Crystal structure of Chaetomium thermophilum Glycerol Kinase in complex with glycerol in P21212 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	2019-01-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	170.729, 222.025, 61.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.600 - 2.300
R-factor	0.2145
Rwork	0.214
R-free	0.24930
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_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.600	48.600	2.440
High resolution limit [Å]	2.300	6.840	2.300
Rmerge	0.177	0.032	1.591
Rmeas	0.207	0.038	1.850
Total number of observations	383976
Number of reflections	103148	4159	16406
<I/σ(I)>	6.8	28.61	0.77
Completeness [%]	98.5	96.6	98.1
Redundancy	3.723	3.42	3.812
CC(1/2)	0.993	0.999	0.331

Crystallization Conditions

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