1QNR

The 3-D structure of a Trichoderma reesei b-mannanase from glycoside hydrolase family 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	110
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	50.748, 54.922, 61.363
Unit cell angles	90.00, 111.73, 90.00

Refinement procedure

Resolution	19.800 - 1.400
Rwork	0.124
R-free	0.17100
Structure solution method	OTHER
RMSD bond length	0.023
RMSD bond angle	0.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.063 *	0.240
Number of reflections	50979
<I/σ(I)>	17.3	2.6
Completeness [%]	91.2	50.3
Redundancy	3.2	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	293 *	2M AMMONIUM SULPHATE, 0.1M GLYCINE PH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	22 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	reservoir	ammonium sulfate	2 (M)
4	1	reservoir	Tris-HCl	0.1 (M)