1GPI

Cellobiohydrolase Cel7D (CBH 58) from Phanerochaete chrysosporium. Catalytic module at 1.32 Angstrom resolution

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]	110
Detector technology	IMAGE PLATE
Collection date	1998-05-15
Detector	MAR scanner 345 mm plate
Spacegroup name	C 1 2 1
Unit cell lengths	86.307, 46.625, 99.079
Unit cell angles	90.00, 103.19, 90.00

Refinement procedure

Resolution	13.000 - 1.320
R-factor	0.1875 *
Rwork	0.213
R-free	0.22690 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cel
RMSD bond length	0.024 *
RMSD bond angle	2.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.000	1.340
High resolution limit [Å]	1.320	1.320
Rmerge	0.028	0.206
Number of reflections	89559
<I/σ(I)>	17.2	4
Completeness [%]	98.9	96.6
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5 *		22.5% PEG5000, 5 MM CACL2, 10 MM TRIS-HCL, PH 7.0, 12.5% GLYCEROL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	R-propanolol	12.5 (mM)
3	1	drop	sodium acetate	1 (mM)	pH5.0
4	1	reservoir	PEG5000 MME	27.5 (%(w/v))
5	1	reservoir		2 (mM)
6	1	reservoir	Tris-HCl	10 (mM)	pH7.0
7	1	reservoir	glycerol	10 (%(v/v))