7ZET

Crystal structure of human Clusterin, crystal form I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.77490
Spacegroup name	P 1 21 1
Unit cell lengths	65.742, 43.808, 102.800
Unit cell angles	90.00, 107.29, 90.00

Refinement procedure

Resolution	27.610 - 2.800
R-factor	0.2346
Rwork	0.232
R-free	0.27420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold AF-P10909-F1-model_v1.pdb
Data reduction software	XDS (VERSION Feb 5, 2021)
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP (11.4.06)
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.080	49.080	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge	0.146	0.041	1.656
Rmeas	0.172	0.049	1.942
Rpim	0.088	0.026	1.000
Total number of observations	50668	1471	7108
Number of reflections	13861	463	1966
<I/σ(I)>	5.9	19.4	0.7
Completeness [%]	98.2	95.2	96.1
Redundancy	3.7	3.2	3.6
CC(1/2)	0.995	0.997	0.417

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	30% PEG-4000, 0.2 M NH4-acetate, 0.1 M Na-citrate pH 5.6