1H8V

The X-ray Crystal Structure of the Trichoderma reesei Family 12 Endoglucanase 3, Cel12A, at 1.9 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-04-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	69.720, 71.580, 121.400
Unit cell angles	90.00, 91.52, 90.00

Refinement procedure

Resolution	28.100 - 1.900
R-factor	0.189
Rwork	0.189
R-free	0.23300
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	26.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.065	0.220
Total number of observations	230270 *
Number of reflections	87132
<I/σ(I)>	15.9	4
Completeness [%]	92.0	84.5
Redundancy	2.6	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	20-24 *	pH 6.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	cacodylate	200 (mM)
3	1	reservoir	ammonium acetate	200 (mM)
4	1	reservoir	mPEG2000	10-30 (%(w/w))