5M1Q

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 65
Unit cell lengths	60.983, 60.983, 90.396
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.600 - 1.450
R-factor	0.2019
Rwork	0.201
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house model
RMSD bond length	0.009
RMSD bond angle	1.271
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]	45.600	45.600	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.086	0.047	1.291
Rmeas	0.097
Rpim	0.045
Total number of observations	151672
Number of reflections	33635
<I/σ(I)>	8.2
Completeness [%]	99.7	98.1	99.5
Redundancy	4.5	4.4	3.9
CC(1/2)	0.997	0.997	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.01 M Zinc chloride, 0.1 M MES pH 6.0, 20% PEG 6000