1G9J

X-TAL STRUCTURE OF THE MUTANT E44Q OF THE CELLULASE CEL48F IN COMPLEX WITH A THIOOLIGOSACCHARIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FU581
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	2000-10-05
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	61.480, 84.720, 121.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.900
R-factor	0.182
Rwork	0.182
R-free	0.20700
RMSD bond length	0.005
RMSD bond angle	21.700 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.077	0.399
Number of reflections	45078
<I/σ(I)>	8.1	1.7
Completeness [%]	99.7	99
Redundancy	3.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293 *	Reverbel-Leroy, C., (1997) Acta Crystallogr., D.54, 114. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	IG4	2 (mM)
3	1	reservoir		0.5 (M)	or 0.3M
4	1	drop	PEG4000