6PTY

Soluble model of human CuA (Tt3Lh)

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	51.630, 70.957, 77.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.950 - 1.980
R-factor	0.2002
Rwork	0.198
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cua
RMSD bond length	0.004
RMSD bond angle	0.680
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]	42.950	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.058	0.309
Rmeas	0.065	0.349
Rpim	0.028	0.158
Number of reflections	20219	1363
<I/σ(I)>	17.5	3
Completeness [%]	99.1	98.5
Redundancy	5	4.8
CC(1/2)	0.998	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	100 mM Hepes, 1.6 M (NH4)2SO4, 0.1 mM NaCl, pH 7.5