6L2F

Crystal structure of a cupin protein (tm1459, H54AH58A 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	CCD
Collection date	2016-09-20
Detector	RAYONIX MX300HE
Wavelength(s)	0.900
Spacegroup name	P 21 21 21
Unit cell lengths	50.635, 57.797, 74.402
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.230
R-factor	0.146
Rwork	0.146
R-free	0.18810
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	1.250
High resolution limit [Å]	1.230	1.230
Rmerge	0.076	0.971
Rmeas	0.081	0.032
Rpim	0.030	0.012
Total number of observations	462320
Number of reflections	63984	3435
<I/σ(I)>	29.4	3.27
Completeness [%]	100.0	99.9
Redundancy	7.2	7.1
CC(1/2)		0.999

Crystallization Conditions

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