1QNQ

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 CCD
Spacegroup name	P 1 21 1
Unit cell lengths	51.130, 54.290, 61.050
Unit cell angles	90.00, 110.21, 90.00

Refinement procedure

Resolution	20.000 - 1.650
Rwork	0.115
R-free	0.16000
Structure solution method	OTHER
RMSD bond length	0.013
RMSD bond angle	0.035
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	ARP/wARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.039	0.071 *
Number of reflections	60810
<I/σ(I)>	18.4	9.8
Completeness [%]	91.0	73.4
Redundancy	2	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	293 *	2M AMMONIUM SULPHATE, 0.1M TRIS-HCL 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)