7Z82

REP-related Chom18 variant with double AG mismatch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-09
Detector	Bruker PHOTON III
Wavelength(s)	1.3418
Spacegroup name	P 43 21 2
Unit cell lengths	38.110, 38.110, 87.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.960 - 3.200
R-factor	0.2993
Rwork	0.298
R-free	0.32240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ros
RMSD bond length	0.011
RMSD bond angle	1.276
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]	34.960	3.190
High resolution limit [Å]	2.950	2.950
Rmerge	0.063	0.998
Rmeas	0.065	1.016
Rpim	0.014	0.184
Number of reflections	1535	291
<I/σ(I)>	35.8	4.1
Completeness [%]	97.9	93.6
Redundancy	31.3
CC(1/2)	0.999	0.962

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