6RY6

Crystal structure of Dfg5 from Chaetomium thermophilum in complex with glucosamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-26
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	C 1 2 1
Unit cell lengths	83.452, 55.084, 80.506
Unit cell angles	90.00, 90.56, 90.00

Refinement procedure

Resolution	40.250 - 1.300
R-factor	0.114
Rwork	0.113
R-free	0.12740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.250	1.346
High resolution limit [Å]	1.300	1.300
Rmerge	0.020	0.140
Rmeas	0.035
Number of reflections	86433	8481
<I/σ(I)>	15.54	4.51
Completeness [%]	96.3	94.52
Redundancy	1.9	1.9
CC(1/2)	0.999	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291.15	Ammoniumiodide, PEG3350, Calcium acetate, MES, PEG 8000