4ZNL

Thermus Phage P74-26 Large Terminase ATPase domain bound to ADP Beryllium Fluoride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.100
Spacegroup name	P 32
Unit cell lengths	76.920, 76.920, 131.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.460 - 2.068
R-factor	0.198
Rwork	0.196
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zni
RMSD bond length	0.007
RMSD bond angle	0.985
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.460	2.142
High resolution limit [Å]	2.068	2.068
Rmerge	0.058	0.230
Number of reflections	51948
<I/σ(I)>	14.24	6.39
Completeness [%]	98.0	98.03
Redundancy	4.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	19% (w/v) PEG 3350, 0.05 M ammonium sulfate, and 0.1 M tri-sodium citrate pH 5.0