5M1K

Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9796
Spacegroup name	P 1 21 1
Unit cell lengths	43.807, 54.057, 69.950
Unit cell angles	90.00, 91.94, 90.00

Refinement procedure

Resolution	43.780 - 1.200
R-factor	0.1845
Rwork	0.183
R-free	0.20870
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.285
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.780	43.780	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.073	0.043	0.765
Rmeas	0.091
Rpim	0.054
Total number of observations	250958
Number of reflections	98722
<I/σ(I)>	7.4
Completeness [%]	97.0	94	97.6
Redundancy	2.5	2.7	2.5
CC(1/2)	0.996	0.991	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium Tartrate, 0.1 M Bis-tris pH 5.5-6.5, 20% PEG 3350