6YP6

Structural annotation of the conserved carbohydrate esterase vb_24B_21 from Shiga toxin-encoding bacteriophage phi24B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.7514
Spacegroup name	P 21 21 21
Unit cell lengths	54.522, 54.824, 72.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.490 - 0.970
R-factor	0.1512
Rwork	0.150
R-free	0.17190
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.983
Data reduction software	XDS (VERSION Mar 15, 2019)
Data scaling software	XDS (VERSION Mar 15, 2019)
Phasing software	SHELXDE
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	0.980
High resolution limit [Å]	0.970	0.970
Number of reflections	128671	3878
<I/σ(I)>	14.64	1
Completeness [%]	99.5
Redundancy	7.1
CC(1/2)	0.990	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.9 M LiSO4, 10% [v/v] glycerol, 0.1 M Hepes pH 7.0