6L2D

Crystal structure of a cupin protein (tm1459) 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	CCD
Collection date	2016-06-21
Detector	RAYONIX MX300HE
Wavelength(s)	0.900
Spacegroup name	P 21 21 21
Unit cell lengths	50.521, 57.808, 74.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.198
R-factor	0.1508
Rwork	0.151
R-free	0.18570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wsd
RMSD bond length	0.007
RMSD bond angle	0.023
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	SHELX (2017/01)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.220
High resolution limit [Å]	1.198	1.198
Rmerge	0.082	0.976
Rmeas	0.088	0.056
Rpim	0.033	0.022
Number of reflections	69599	3253
<I/σ(I)>	22.1	2.2
Completeness [%]	97.2	95.1
Redundancy	7.4	7.4
CC(1/2)		0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	25%(w/v) Jeffamine ED-2001, 0.1M MES