6H7T

Native structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	82.971, 82.971, 140.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.470 - 2.100
R-factor	0.2069
Rwork	0.204
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.985
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.471	45.058	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.053	1.163
Rmeas	0.118	0.057	1.245
Rpim	0.042	0.022	0.441
Number of reflections	29499	1078	4209
<I/σ(I)>	11.1	8.6	0.6
Completeness [%]	100.0	99.7	100
Redundancy	7.8	6.8	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	298	55-60% PEG550 MME, 0.1M HEPES