5OEB

Structure of large terminase from the thermophilic bacteriophage D6E in complex with ADP (Crystal form 3)

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	2016-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	100.878, 102.859, 103.029
Unit cell angles	91.13, 117.16, 119.17

Refinement procedure

Resolution	45.800 - 3.100
R-factor	0.2393
Rwork	0.237
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.174
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.800	45.800	3.190
High resolution limit [Å]	3.100	13.140	3.100
Rmerge	0.164	0.030	0.832
Rmeas	0.232	0.043	1.177
Rpim	0.164	0.030	0.832
Total number of observations	95733	1171	7439
Number of reflections	53693	646	4293
<I/σ(I)>	4	15	1
Completeness [%]	96.4	88.6	94
Redundancy	1.8	1.8	1.7
CC(1/2)	0.972	0.996	0.336

Crystallization Conditions

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