7TUN

Crystal structure analysis of human CKB complex with a covalent compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	101.240, 101.240, 160.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.590 - 2.930
R-factor	0.2074
Rwork	0.205
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dre
Data reduction software	XDS
Data scaling software	xia2 (3.5.0)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.680	85.720	2.980
High resolution limit [Å]	2.930	7.950	2.930
Rmeas	0.299	0.070	2.618
Rpim	0.083	0.020	0.704
Total number of observations	242855	11810	12739
Number of reflections	18694	1067	932
<I/σ(I)>	9	28.2	1.1
Completeness [%]	100.0	100	100
Redundancy	13	11.1	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.7M Ammonium citrate, pH 7.4