7ZNR

Inactive D62N mutant of BT1760 Endo-acting levanase from Bacteroides thetaiotaomicron VPI-5482

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97630
Spacegroup name	I 41 2 2
Unit cell lengths	174.720, 174.720, 215.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.870 - 2.650
Rwork	0.191
R-free	0.24600
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.991
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.870	2.740
High resolution limit [Å]	2.650	2.650
Rpim		0.911
Number of reflections	48504	4407
<I/σ(I)>	12.1
Completeness [%]	99.9
Redundancy	16.3	15.2
CC(1/2)	0.997	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.5 M lithium sulfate, 100 mM Hepes pH 7.5