5YLH

Structure of GH113 beta-1,4-mannanase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	54.821, 69.375, 188.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	2.380 - 2.290
R-factor	0.1897
Rwork	0.186
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3civ
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (v1.12)
Refinement software	PHENIX (v1.12)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.380	30.383
High resolution limit [Å]	2.290	2.290
Rmerge	0.120	0.122
Number of reflections	29076
<I/σ(I)>	9.8	4.6
Completeness [%]	88.0	88
Redundancy	3.7	3.6

Crystallization Conditions

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