8VFL

Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 290K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	290
Detector technology	PIXEL
Collection date	2022-06-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 3
Unit cell lengths	84.351, 84.351, 41.032
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	73.050 - 1.230
R-factor	0.14503
Rwork	0.143
R-free	0.17988
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.851
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.050	1.250
High resolution limit [Å]	1.230	1.230
Rmerge	0.086	0.879
Rmeas	0.097	1.201
Rpim	0.044	0.812
Total number of observations	377938	3791
Number of reflections	87432	2118
<I/σ(I)>	8.1	0.4
Completeness [%]	92.1
Redundancy	4.3	1.8
CC(1/2)	0.997	0.268

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	24-30% PEG 4000, 0.1M Sodium Citrate (pH 5.6-6.0), 0.2M Ammonium Acetate