9EZD

BsmI (Bottom Nicking mutant) crystallized with Mg2+ and cognate dsDNA (Post-reactive complex)

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)	0.97856
Spacegroup name	P 21 21 2
Unit cell lengths	98.213, 130.419, 62.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.450 - 2.635
R-factor	0.2205
Rwork	0.219
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.870
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]	78.455	2.957
High resolution limit [Å]	2.635	2.635
Rmerge	0.520	2.439
Rmeas	0.546	2.577
Rpim	0.162	0.820
Number of reflections	12735	637
<I/σ(I)>	5.5
Completeness [%]	91.1	65.7
Redundancy	11.2	9.7
CC(1/2)	0.985	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	100 mM MES pH6.5 100 mM MgCl2 25% PEG400 35% Guanidine HCl