6FOL

Domain II of the human copper chaperone in complex with human Cu,Zn superoxide dismutase

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	2016-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	H 3 2
Unit cell lengths	244.689, 244.689, 182.332
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.974 - 2.550
R-factor	0.2099
Rwork	0.208
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1do5 2c9v
RMSD bond length	0.003
RMSD bond angle	0.474
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.690
High resolution limit [Å]	2.550	2.550
Rmerge	0.130	0.806
Rmeas	0.140	0.877
Rpim	0.053	0.335
Number of reflections	64704	9558
<I/σ(I)>	9.5	2
Completeness [%]	95.7	97.2
Redundancy	6.8	6.7
CC(1/2)	0.995	0.409

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% (w/v) PEG 1500 and 0.1 M PCTP buffer pH 7.0 (sodium propionate, sodium cacodylate, and BIS-TRIS propane in the molar ratios 2:1:2, respectively)