1CEL

THE THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE CATALYTIC CORE OF CELLOBIOHYDROLASE I FROM TRICHODERMA REESEI

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	84.000, 86.200, 111.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.500 - 1.800
R-factor	0.181
Rwork	0.181
RMSD bond length	0.008
RMSD bond angle	1.700
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	1.810 *	1.810 *
Rmerge	0.043 *
Total number of observations	99089 *
Number of reflections	65174 *
Completeness [%]	95.5 *	52 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	3.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-10 (mg/ml)	0.005ml
2	1	drop	glycine	10 (mM)
3	1	drop	PEG20000	10 (%)	0.005ml
4	1	drop	calcium chloride	50 (mM)	0.001 ml
5	1	drop	o-iodobenzyl-1-thio-beta-D-cellobioside	1 (mM)
6	1	reservoir	sodium chloride	0.2 (M)