8VDY

Crystal Structure of Delta 114-117 D-Dopachrome Tautomerase (D-DT)

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	2023-04-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 1 21 1
Unit cell lengths	99.533, 59.529, 129.976
Unit cell angles	90.00, 107.93, 90.00

Refinement procedure

Resolution	89.840 - 2.440
R-factor	0.25138
Rwork	0.249
R-free	0.30177
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.567
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.840	2.480
High resolution limit [Å]	2.440	2.440
Rmerge	0.267	1.363
Number of reflections	51582	51582
<I/σ(I)>	4.5	1
Completeness [%]	99.8	99.7
Redundancy	3.4	3.5
CC(1/2)	0.953	0.250

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	26-32% PEG 3350, 0.25-0.275M Ammonium Acetate.