9EZ5

BsmI (Inactive) crystallized with Mg2+ and cognate dsDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 2
Unit cell lengths	98.481, 132.584, 63.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.080 - 1.846
R-factor	0.2085
Rwork	0.206
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.950
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.058	2.023
High resolution limit [Å]	1.846	1.846
Rmerge	0.186	2.061
Rmeas	0.193	2.138
Rpim	0.050	0.559
Number of reflections	38714	1936
<I/σ(I)>	9.6	1.5
Completeness [%]	92.1	51.1
Redundancy	14.3	13.7
CC(1/2)	0.997	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100mM MES, pH6.5 200mM MgCl2 30% PEG400 25% Guanidine HCl