4I8D

Crystal Structure of Beta-D-glucoside glucohydrolase from Trichoderma reesei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	130.410, 107.860, 125.860
Unit cell angles	90.00, 115.59, 90.00

Refinement procedure

Resolution	44.890 - 2.480
R-factor	0.2038
Rwork	0.201
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x40
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.480	6.780	2.480
Rmerge	0.147	0.045	0.849
Number of reflections	54914
<I/σ(I)>	6.4
Completeness [%]	99.8	99.5	99.9
Redundancy	4.2	4.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	Protein solution (25mM sodium acetate, pH5.0) mixed in a 1:1 ratio with the well solution (4% 2-propanol, 0.1M BTP pH9.0, 20% MEPEG 5K) Cryoprotected with 4%2-propanol, 25% MEPEG 5K, 0.1M BTP pH9.0, 10% ethylene glycol, Vapor diffusion, sitting drop, temperature 277K