5M1P

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

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	2016-04-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	43.453, 53.597, 69.852
Unit cell angles	90.00, 91.80, 90.00

Refinement procedure

Resolution	43.430 - 1.100
R-factor	0.2229
Rwork	0.222
R-free	0.23480
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.240
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.430	43.430	1.120
High resolution limit [Å]	1.100	6.020	1.100
Rmerge	0.078	0.046	0.970
Rmeas	0.094
Rpim	0.052
Total number of observations	409240
Number of reflections	129065
<I/σ(I)>	6.5
Completeness [%]	99.4	99.3	99.4
Redundancy	3.2	3.4	3
CC(1/2)	0.996	0.994	0.401

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