5OE9

Structure of large terminase from the thermophilic bacteriophage D6E in complex with sulfate (Crystal form 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	C 1 2 1
Unit cell lengths	181.297, 102.249, 110.282
Unit cell angles	90.00, 124.87, 90.00

Refinement procedure

Resolution	46.650 - 2.400
R-factor	0.1967
Rwork	0.195
R-free	0.23310
RMSD bond length	0.010
RMSD bond angle	1.294
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]	46.650	46.650	2.440
High resolution limit [Å]	2.380	10.910	2.380
Rmerge	0.062	0.020	1.131
Rmeas	0.071	0.023	1.313
Rpim	0.034	0.011	0.652
Total number of observations	268569
Number of reflections	64217
<I/σ(I)>	13.5
Completeness [%]	97.1	96.6	67.4
Redundancy	4.2	4.1	3.3
CC(1/2)	0.999	0.999	0.420

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