4H7M

The X-ray Crystal Structure of the Trichoderma harzianum Endoglucanase 3 from family GH12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-05
Detector	MARRESEARCH
Wavelength(s)	1.46
Spacegroup name	P 21 21 21
Unit cell lengths	47.542, 55.569, 157.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.508 - 2.068
R-factor	0.1847
Rwork	0.182
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.039
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.070	4.460	2.070
Rmerge	0.113	0.070	0.199
Number of reflections	26039
<I/σ(I)>	23.7
Completeness [%]	99.1	99.9	97.5
Redundancy	6.6	6.7	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	2.0 M Sodium chloride, 12 %(w/v) PEG 6000, vapor diffusion, sitting drop, temperature 291K