1FBO

Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellobiitol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1997-04-14
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	61.460, 84.820, 121.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.320 - 2.300
Rwork	0.166
R-free	0.21000
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.360	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.098	0.418
Number of reflections	23964
<I/σ(I)>	6.3
Completeness [%]	95.7	90.3
Redundancy	3.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293 *	PEG 4000, HEPES, Calcium chloride, Cellobiitol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	substrate/inhibitor	4 (mM)
3	1	drop	IG4	2 (mM)
4	1	reservoir		0.5 (M)	or 0.3M