1E5J

ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO-BETA-CELLOBIOSIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-01-13
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	74.520, 74.520, 136.193
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.850
R-factor	0.177 *
Rwork	0.177
R-free	0.22100 *
Structure solution method	OTHER
RMSD bond length	0.013
RMSD bond angle	0.023 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.048	0.265
Number of reflections	32666
<I/σ(I)>	19.8	3.7
Completeness [%]	98.7	96.5
Redundancy	3.0 *	3.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	100 *	Varrot, A., (2000) J.Mol.Biol., 279, 819. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG400	28 (%)
3	1	reservoir	triethanolamine	100 (mM)
4	1	reservoir		200 (mM)