5OEA

Structure of large terminase from the thermophilic bacteriophage D6E in complex with ATP-gamma-S (Crystal form 3)

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	2016-07-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	101.476, 102.981, 103.044
Unit cell angles	90.98, 119.37, 117.18

Refinement procedure

Resolution	45.900 - 3.000
R-factor	0.1928
Rwork	0.190
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.111
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.900	45.900	3.080
High resolution limit [Å]	3.000	13.420	3.000
Rmerge	0.075	0.023	0.811
Rmeas	0.104	0.032	1.123
Rpim	0.071	0.022	0.775
Number of reflections	59382
<I/σ(I)>	6.3
Completeness [%]	96.5	92.9	96.5
Redundancy	1.9	1.9	2
CC(1/2)	0.996	0.998	0.379

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.2 M Ammonium Sulafte, 0.1 M HEPES pH 8.0