6HZN

Crystal structure of human dermatan sulfate epimerase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97967
Spacegroup name	C 2 2 21
Unit cell lengths	182.676, 213.914, 86.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.574 - 2.410
R-factor	0.1772
Rwork	0.176
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CRANK2
RMSD bond length	0.004
RMSD bond angle	0.775
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]	48.574	2.446
High resolution limit [Å]	2.410	2.410
Rmerge	0.092
Rmeas	0.097
Rpim	0.030
Number of reflections	66029
<I/σ(I)>	15.71
Completeness [%]	100.0
Redundancy	10.5
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	Ammonium acetate 200 mM, MES 0.1 M (pH 6.5), Glycerol ethoxylate 30% v/v, Xylitol 6%