5VDE

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

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	35.976, 80.054, 50.763
Unit cell angles	90.00, 99.91, 90.00

Refinement procedure

Resolution	50.000 - 1.650
R-factor	0.16593
Rwork	0.164
R-free	0.20589
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cc8
RMSD bond length	0.020
RMSD bond angle	1.980
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.650	1.650
Rmerge	0.118
Rpim	0.057	0.499
Number of reflections	34104	2129
<I/σ(I)>	10.2
Completeness [%]	97.3	89
Redundancy	4.9	4.7
CC(1/2)	0.996	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293	0.1 M HEPES (pH 7.3), 24% (W/v) PEG3350