9QHC

Crystal structure of 8-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 21 21 2
Unit cell lengths	79.260, 134.185, 78.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.180 - 2.880
R-factor	0.21195
Rwork	0.206
R-free	0.33834
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.575
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]	67.180	3.216
High resolution limit [Å]	2.879	2.879
Rmerge	0.076	1.380
Rmeas	0.080	1.454
Rpim	0.023	0.446
Number of reflections	10700	535
<I/σ(I)>	16.3
Completeness [%]	54.9
Redundancy	12.7	10.4
CC(1/2)	0.999	0.673

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