5YLL

Structure of GH113 beta-1,4-mannanase complex with M6.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-29
Detector	RAYONIX MX-225
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	62.602, 69.960, 186.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.750 - 1.810
R-factor	0.1868
Rwork	0.186
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ylh
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (v1.12)
Refinement software	PHENIX (v1.12)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.750	1.880
High resolution limit [Å]	1.810	1.810
Rmerge	0.086	0.086
Number of reflections	68340
<I/σ(I)>	45.1	9.4
Completeness [%]	91.0	91
Redundancy	5.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG4000, HEPES Na, 2-Propylalcohol