9SIJ

Phage epsilon15 tailspike gp20 esterase domain modified with selenomethionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	41.725, 49.686, 144.692
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.346 - 1.643
Rwork	0.145
R-free	0.17520
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.349
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	CRANK
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	144.690	1.730
High resolution limit [Å]	1.640	1.640
Number of reflections	37674	5414
<I/σ(I)>	18.3	2.4
Completeness [%]	100.0	100
Redundancy	12.8	13.1
CC(1/2)	0.999	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	20mM Tris H-Cl, 0.1 M Citrate pH 5.5, 12% PEG (w/v) 4000