1UT9

Structural Basis for the Exocellulase Activity of the Cellobiohydrolase CbhA from C. thermocellum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	74.546, 75.760, 137.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.000 * - 2.100
R-factor	0.14928
Rwork	0.147
R-free	0.18500 *
Structure solution method	MIRAS
RMSD bond length	0.008 *
RMSD bond angle	1.381 *
Data reduction software	PROTEUM
Data scaling software	PROTEUM
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.081 *	0.248 *
Number of reflections	41182
<I/σ(I)>	12	3
Completeness [%]	91.6 *	65.9 *
Redundancy	2.8 *	1.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8.5	273 *	20% PEG4000, 0.2M (NH4)2SO4, 0.1M TRIS, PH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	25 (mM)	pH8.5
3	1	drop		0.2 (M)
4	1	reservoir	PEG4000	20 (%)
5	1	reservoir	ammonium sulfate	0.2 (M)
6	1	reservoir	Tris	0.1 (M)	pH7.0