7Z7K

REP-related Chom18 variant with double AT base pairing

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	38.185, 38.185, 87.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.230 - 2.700
R-factor	0.2712
Rwork	0.261
R-free	0.33610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ros
RMSD bond length	0.011
RMSD bond angle	1.425
Data reduction software	XDS (20210323)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.910	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.085	1.939
Rmeas	0.088	1.980
Rpim	0.019	0.395
Number of reflections	2062	280
<I/σ(I)>	22.6	2.2
Completeness [%]	100.0	100
Redundancy	22.2	24.8
CC(1/2)	0.999	0.678

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