8CMQ

Crystal structure of an 8-repeat consensus TPR superhelix with Tb

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	2020-10-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.650042
Spacegroup name	P 21 21 21
Unit cell lengths	43.769, 57.485, 76.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.910 - 1.782
R-factor	0.17459
Rwork	0.173
R-free	0.19767
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.634
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.913	1.812
High resolution limit [Å]	1.782	1.782
Rmerge	0.152	1.720
Rmeas	0.159	1.808
Rpim	0.046	0.550
Number of reflections	18929	926
<I/σ(I)>	13.1	1.9
Completeness [%]	99.5	97.6
Redundancy	11.9	10.5
CC(1/2)	0.993	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	292	TbCl3, 5 mM 100 mM Tris-HCl 30% MPD