5YLI

Complex structure of GH113 beta-1,4-mannanase

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 MX225-HS
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	55.142, 69.612, 188.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.850 - 2.370
R-factor	0.1831
Rwork	0.180
R-free	0.23400
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]	35.850	2.460
High resolution limit [Å]	2.370	2.370
Rmerge	0.088	0.088
Number of reflections	29759
<I/σ(I)>	26.1	9.1
Completeness [%]	98.0	98.19
Redundancy	5.7	5.7

Crystallization Conditions

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