6FON

Elongated conformer of the human copper chaperone for SOD1 complexed with human SOD1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	H 3 2
Unit cell lengths	172.481, 172.481, 219.244
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.190 - 3.050
R-factor	0.20134
Rwork	0.199
R-free	0.24628
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fol
RMSD bond length	0.010
RMSD bond angle	1.460
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.190	3.210
High resolution limit [Å]	3.050	3.050
Rmerge	0.130	1.429
Rmeas	0.135	1.481
Rpim	0.036	0.384
Number of reflections	24090	3485
<I/σ(I)>	18.7	1.9
Completeness [%]	100.0	100
Redundancy	14.1	14.5
CC(1/2)	0.999	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1 M MES pH 6.0 0.2 M Magnesium chloride 20 % (w/v) PEG 6000