2QNO

Crystal Structure of the Mutant E55Q of the Cellulase CEL48F in Complex with a Thio-Oligosaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	1998-10-19
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.91
Spacegroup name	P 21 21 21
Unit cell lengths	61.240, 84.720, 121.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.303 - 2.000
R-factor	0.14
Rwork	0.137
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fce
RMSD bond length	0.013
RMSD bond angle	1.334
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.303	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	41188
<I/σ(I)>	6.7	3
Completeness [%]	95.2	95.2
Redundancy	3.9	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	50 mM Sodium-HEPES, 8 % w/v PEG 4000, 20 mM Calcium chloride, 8 mM Thio-oligosaccharide IG10, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K