7Z7M

REP-related Chom18 variant with double CC mismatch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-15
Detector	Bruker PHOTON III
Wavelength(s)	1.3418
Spacegroup name	P 43 21 2
Unit cell lengths	38.090, 38.090, 87.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.720 - 2.600
R-factor	0.2379
Rwork	0.233
R-free	0.29210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ros
RMSD bond length	0.011
RMSD bond angle	1.277
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]	28.720	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.062	1.314
Rmeas	0.064	1.334
Rpim	0.012	0.229
Number of reflections	2658	301
<I/σ(I)>	35.7	2.9
Completeness [%]	94.4	99.3
Redundancy	32.7	33.2
CC(1/2)	1.000	0.900

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