8II8

X-ray crystal structure of pink-colored protein from Pleurotus salmoneostramineus in complex with natural chromophore

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	I 1 2 1
Unit cell lengths	58.879, 31.895, 107.416
Unit cell angles	90.00, 95.94, 90.00

Refinement procedure

Resolution	30.560 - 1.250
Rwork	0.131
R-free	0.16410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	artificial helices without side chain
RMSD bond length	0.012
RMSD bond angle	1.723
Data reduction software	XDS (Jan 10, 2022 BUILT=20220820)
Data scaling software	Aimless (0.7.9)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.560	30.560	1.270
High resolution limit [Å]	1.250	6.850	1.250
Rmerge	0.071	0.065	0.276
Rmeas	0.098	0.091	0.383
Rpim	0.068	0.064	0.264
Number of reflections	54840	355	2689
<I/σ(I)>	9.4	14.3	3.8
Completeness [%]	99.1	94.1	98.6
Redundancy	3.4	3	3.3
CC(1/2)	0.990	0.971	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	PEG4000, sodium formate, Tris-HCl