6R3R

First crystal structure of endo-levanase BT1760 from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	I 2 2 2
Unit cell lengths	77.657, 110.607, 171.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.800 - 1.650
Rwork	0.154
R-free	0.17100
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15rc3-3435)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.800	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.059	0.764
Rmeas	0.067	0.857
Rpim	0.029	0.376
Number of reflections	87995	8685
<I/σ(I)>	16.9	2.3
Completeness [%]	99.2	99.3
Redundancy	4.9	4.9
CC(1/2)	0.999	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	32 mg/ml protein; 16-22% (w/v) PEG 6000, 1 mM ZnCl2, 0.1 M MES-NaOH, pH 6.5; 2:1 ratio