6F8Z

Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	P 62 2 2
Unit cell lengths	272.301, 272.301, 190.047
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.670 - 2.500
R-factor	0.1826
Rwork	0.181
R-free	0.22176
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wvy
RMSD bond length	0.009
RMSD bond angle	1.318
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.670	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.210	2.000
Rmeas	0.218	2.090
Rpim	0.060	0.579
Number of reflections	142171	6722
<I/σ(I)>	18.6	2.2
Completeness [%]	99.8	96.7
Redundancy	25	24.5
CC(1/2)	0.998	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	292	18% (w/v) PEG 3350, 0.1 M Bis-Tris propane, pH 6.4, 0.2 M NaBr