8VFK

Crystal Structure of Delta 109-117 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	2022-06-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 61
Unit cell lengths	75.496, 75.496, 96.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.380 - 1.590
R-factor	0.1766
Rwork	0.176
R-free	0.18472
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.569
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.380	1.620
High resolution limit [Å]	1.590	1.590
Rmerge	0.247	1.875
Rmeas	0.258	1.957
Rpim	0.075	0.560
Total number of observations	479440	24220
Number of reflections	41389	2046
<I/σ(I)>	4.9	0.7
Completeness [%]	98.5
Redundancy	11.6	11.8
CC(1/2)	0.993	0.469

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	26-28% PEG 4000, 0.1M Sodium Citrate pH 6.0-6.2, 0.2M Ammonium Acetate