9QHB

Crystal structure of 16-repeat CTPR protein with eliminated coordination sites

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	68.955, 68.955, 148.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.720 - 1.970
R-factor	0.19729
Rwork	0.195
R-free	0.24313
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.604
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP (11.7.02)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.720	2.109
High resolution limit [Å]	1.969	1.969
Rmerge	0.084	1.874
Rmeas	0.087	1.948
Rpim	0.020	0.517
Number of reflections	24154	1209
<I/σ(I)>	17.7
Completeness [%]	81.4
Redundancy	19	13.5
CC(1/2)	0.998	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	100 mM sodium acetate, pH 5.5, 100 mM CaCl2, 25% MPD