7Z7W

REP-related Chom18 variant with double GC 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	38.618, 38.618, 87.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.350 - 2.750
R-factor	0.2657
Rwork	0.258
R-free	0.33320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ros
RMSD bond length	0.008
RMSD bond angle	0.747
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]	43.970	2.920
High resolution limit [Å]	2.750	2.750
Rmerge	0.069	1.819
Rmeas	0.071	1.856
Rpim	0.016	0.366
Number of reflections	1997	295
<I/σ(I)>	25.3	2.1
Completeness [%]	99.9	99.6
Redundancy	22.6
CC(1/2)	0.999	0.908

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