8VFN

Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K

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]	310
Detector technology	PIXEL
Collection date	2022-06-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 3
Unit cell lengths	84.292, 84.292, 41.058
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	73.000 - 1.290
R-factor	0.15976
Rwork	0.159
R-free	0.16735
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.682
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]	73.000	1.310
High resolution limit [Å]	1.290	1.290
Rmerge	0.091	1.423
Rmeas	0.096	1.618
Rpim	0.031	0.747
Total number of observations	733239	14401
Number of reflections	80478	3235
<I/σ(I)>	11.4	0.5
Completeness [%]	97.9
Redundancy	9.1	4.5
CC(1/2)	0.999	0.329

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