7Z7L

REP-related Chom18 variant with double AC 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	37.760, 37.760, 85.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.680 - 2.500
R-factor	0.2429
Rwork	0.242
R-free	0.32770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ros
RMSD bond length	0.013
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]	37.760	2.610
High resolution limit [Å]	2.500	2.500
Rmerge	0.051	1.505
Rmeas	0.052	1.534
Rpim	0.011	0.295
Number of reflections	2423	268
<I/σ(I)>	35.7	3.1
Completeness [%]	99.9	99.8
Redundancy	23.4	26
CC(1/2)	0.997	0.910

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