5M1N

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	43.804, 53.936, 70.079
Unit cell angles	90.00, 92.06, 90.00

Refinement procedure

Resolution	43.780 - 1.200
R-factor	0.1697
Rwork	0.169
R-free	0.18220
RMSD bond length	0.007
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
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	0.042	0.028	0.337
Number of reflections	96799
<I/σ(I)>	17.7
Completeness [%]	95.2	97.8	91.8
Redundancy	4.3	4.1	4.4
CC(1/2)	0.999	0.998	0.913

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