7Z81

REP-related Chom18 variant with double TC mismatch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	38.195, 38.195, 88.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.130 - 2.750
R-factor	0.2771
Rwork	0.273
R-free	0.33770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ros
RMSD bond length	0.006
RMSD bond angle	0.745
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.190	2.920
High resolution limit [Å]	2.750	2.750
Rmerge	0.065	1.933
Rmeas	0.066	1.973
Rpim	0.014	0.393
Number of reflections	1971	304
<I/σ(I)>	26.4	2.1
Completeness [%]	100.0	100
Redundancy	22.6	24.8
CC(1/2)	0.998	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Natrix crystallization screen (Hampton Research) precipitant 18-22% (+/-)-2-Methyl-2,4-pentanediol buffer 0.04 M Sodium cacodylate trihydrate salt 0.04 M Magnezium chloride hexahydrate 0.08 M Strontium chloride hexahydrate additive 0.012 M spermine tetrahydrochloride