4B4H

Thermobifida fusca cellobiohydrolase Cel6B(E3) catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 1 21 1
Unit cell lengths	42.750, 93.350, 96.590
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	39.090 - 1.500
R-factor	0.1976
Rwork	0.196
R-free	0.23226
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1QK2 2bvw 1up0 1TML AND 1DYS
RMSD bond length	0.007
RMSD bond angle	1.186
Data scaling software	SCALA
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.500	1.800
High resolution limit [Å]	1.500	1.500
Rmerge	0.070	0.160
Number of reflections	106191
<I/σ(I)>	14.2	7.9
Completeness [%]	87.7	87.9
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4		20% PEG6000, 0.1 M SODIUM CITRATE AT PH 4.0, 1 M LITHIUM CHLORIDE