1W3K

ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOBIO DERIVED-TETRAHYDROOXAZINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	54.565, 69.559, 76.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.300 - 1.200
R-factor	0.114
Rwork	0.113
R-free	0.13200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ocq
RMSD bond length	0.012
RMSD bond angle	1.499
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.046	0.376
Number of reflections	85611
<I/σ(I)>	25.5	2.93
Completeness [%]	98.1	89.3
Redundancy	3.92	3.23

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		PROTEIN CONCENTRATION 20MG/ML, 1.3 M AMMONIUM SULPHATE PH 5.0, 25% GLYCEROL AS CRYOPROTECTANT