9EY7

Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (R)-2,4-dihydroxyphenylalanine

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-11
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8856, 1.2782, 1.7220
Spacegroup name	P 32 2 1
Unit cell lengths	103.152, 103.152, 138.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.330 - 2.610
R-factor	0.1982
Rwork	0.196
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.102
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.330	2.700
High resolution limit [Å]	2.607	2.610
Rmerge	0.141	0.696
Rmeas	0.164	0.808
Rpim	0.081	0.401
Number of reflections	47641	4767
<I/σ(I)>	4.94	1.01
Completeness [%]	98.6	98.33
Redundancy	3.3	3.3
CC(1/2)	0.988	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	PEG 6000, Zinc chloride, Tris-HCl pH8.0