5M1F

Crystal structure of the large terminase nuclease from thermophilic phage G20c

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	2016-01-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	55.102, 55.102, 95.759
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.720 - 2.150
R-factor	0.2044
Rwork	0.200
R-free	0.28110
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.291
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]	47.720	47.720	2.210
High resolution limit [Å]	2.150	9.110	2.150
Rmerge	0.043	0.017	0.804
Rmeas	0.055	0.021	1.043
Rpim	0.035	0.013	0.658
Total number of observations	20099	245	1569
Number of reflections	9183
<I/σ(I)>	10.3	31.5	1
Completeness [%]	95.6	93	90.6
Redundancy	2.2	1.7	2.2
CC(1/2)	0.999	1.000	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2 M Lithium Sulfate, 0.1 M Bis-tris pH 5.5, 25% PEG3350