8HJZ

Crystal structure of a cupin protein (tm1459, H52A/H58Q 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	2022-01-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	51.100, 57.780, 74.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.000 - 1.220
Rwork	0.150
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l2e
RMSD bond length	0.011
RMSD bond angle	0.027
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	SHELXL (2017/01)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.290
High resolution limit [Å]	1.220	1.220
Rmerge	0.066	0.596
Number of reflections	127123	19670
<I/σ(I)>	10.2	2.1
Completeness [%]	98.8	94.5
Redundancy	3.41	3.13
CC(1/2)	0.997	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% w/v Jeffamine ED-2001, 0.1M MES pH 6.0