8ZYG

Crystal structure of a cupin protein (tm1459, I49C-4py/H52A/C106D mutant) in copper (Cu) substituted form

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	2024-01-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	50.670, 57.570, 75.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.080
R-factor	0.142
Rwork	0.141
R-free	0.17070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.026
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.140
High resolution limit [Å]	1.080	1.080
Rmerge	0.075	0.804
Number of reflections	184425	29487
<I/σ(I)>	9.77	2.13
Completeness [%]	99.1	97.9
Redundancy	3.35	3.39
CC(1/2)	0.993	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	26-28% w/v Jeffamine ED-2001, 0.1M MES pH6.0