5M17

Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	I 4
Unit cell lengths	108.576, 108.576, 67.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.770 - 1.030
R-factor	0.11731
Rwork	0.117
R-free	0.12997
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4utf
RMSD bond length	0.010
RMSD bond angle	1.530
Data reduction software	DIALS (1.0-0-g66ac5d4)
Data scaling software	Aimless (0.5.21)
Phasing software	REFMAC (5.8.0135)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.770	1.050
High resolution limit [Å]	1.030	1.030
Rmerge	0.052	0.989
Number of reflections	188472
<I/σ(I)>	14.4	1.2
Completeness [%]	97.5	73.2
Redundancy	6	3.6
CC(1/2)	0.994	0.479

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	292	3 M sodium acetate, pH 7.2