1H2J

ENDOGLUCANASE CEL5A IN COMPLEX WITH UNHYDROLYSED AND COVALENTLY LINKED 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-CELLOBIOSIDE AT 1.15 A RESOLUTION

Replaces:  1HF7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-10-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	54.355, 69.572, 77.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.150
R-factor	0.118
Rwork	0.117
R-free	0.13600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4A3H USED AS STARTING MODEL WITHOUT WATER AND SUBSTRATE
RMSD bond length	0.016
RMSD bond angle	1.765
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.190
High resolution limit [Å]	1.150	1.150
Rmerge	0.054	0.360
Number of reflections	103556
<I/σ(I)>	29.3	4.3
Completeness [%]	99.6	99.7
Redundancy	4.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		PROTEIN CONCENTRATION 20MG/ML, 2M AMMONIUM SULPHATE, 25% GLYCEROL AS CRYOPROTECTANT, pH 4.60