6PTT

Soluble model of Arabidopsis thaliana CuA (Tt3LAt)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.3679
Spacegroup name	P 21 21 21
Unit cell lengths	51.335, 73.734, 79.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.070 - 1.840
R-factor	0.1719
Rwork	0.170
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cua
RMSD bond length	0.020
RMSD bond angle	1.193
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14rc3_3199)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.070	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.078	0.438
Rmeas	0.089	0.508
Rpim	0.043	0.254
Number of reflections	26102	1572
<I/σ(I)>	16.1	3
Completeness [%]	98.2	99.5
Redundancy	4.1	4.1
CC(1/2)	0.990	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	100 mM Hepes, 1.5 M LiSO4, pH 7.5