5TC9

Wild type TrCel7A catalytic domain in a closed state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	152.450, 44.830, 57.520
Unit cell angles	90.00, 101.11, 90.00

Refinement procedure

Resolution	74.800 - 1.600
R-factor	0.16455
Rwork	0.163
R-free	0.19531
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p1h
RMSD bond length	0.014
RMSD bond angle	1.688
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall
Low resolution limit [Å]	74.800
High resolution limit [Å]	1.600
Number of reflections	49009
<I/σ(I)>	3.63
Completeness [%]	96.8
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	308	PEG 3350, 100 mM HEPES, 5 mM Gd(NO3)3