5YLK

Complex structure of GH 113 family beta-1,4-mannanase with mannobiose

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	2017-06-12
Detector	RAYONIX MX-225
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	48.985, 72.177, 177.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.530 - 2.090
R-factor	0.1564
Rwork	0.154
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3civ
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (V.1.12)
Refinement software	PHENIX (V.1.12)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.530	2.170
High resolution limit [Å]	2.090	2.090
Rmerge	0.090	0.090
Number of reflections	36641
<I/σ(I)>	16	7.3
Completeness [%]	92.0	91.99
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 4000, HEPES Na, 2-Propylalcohol