7ZNS

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 I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97630
Spacegroup name	I 41 2 2
Unit cell lengths	175.500, 175.500, 214.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.708 - 2.300
Rwork	0.216
R-free	0.25370
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.507
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]	73.710	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.160
Rmeas	0.188
Rpim	0.097
Number of reflections	73764	4314
<I/σ(I)>	9.4
Completeness [%]	99.6
Redundancy	6.9	4.3
CC(1/2)	0.995	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200 mM ammonium sulfate, 100 mM mes pH 6.5 and 30% PEG 5000 MME