5VDF

Crystal Structure of Cu(I)-loaded yeast Atx1: Crystal Form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	46.148, 114.385, 58.135
Unit cell angles	90.00, 92.32, 90.00

Refinement procedure

Resolution	58.090 - 1.930
R-factor	0.19782
Rwork	0.195
R-free	0.24175
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cc8
RMSD bond length	0.010
RMSD bond angle	1.394
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.090	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.087	0.751
Rpim	0.075	0.669
Number of reflections	45429	2967
<I/σ(I)>	9.8	1.4
Completeness [%]	99.5	94.6
Redundancy	4.3	3.9
CC(1/2)	0.998	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	293	0.1 M HEPES (pH 7.9), 20% (w/v) PEG3350