8K3L

SOD1 and Nanobody3 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	62.214, 62.442, 314.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.070 - 2.300
R-factor	0.1971
Rwork	0.195
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.949
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.120	0.047	1.101
Rmeas	0.125	0.049	1.144
Rpim	0.034	0.014	0.308
Total number of observations	739399
Number of reflections	55961	3051	2732
<I/σ(I)>	3
Completeness [%]	99.7	99.3	100
Redundancy	13.2	11.6	13.5
CC(1/2)	0.996	0.999	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M Ammonium acetate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% w/v Polyethylene, glycol monomethyl ether 2,000