4B4F

Thermobifida fusca Cel6B(E3) co-crystallized with cellobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH SX-165
Spacegroup name	P 1 21 1
Unit cell lengths	42.950, 106.700, 92.470
Unit cell angles	90.00, 89.96, 90.00

Refinement procedure

Resolution	19.920 - 2.200
R-factor	0.18904
Rwork	0.186
R-free	0.24423
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b4h
RMSD bond length	0.007
RMSD bond angle	1.147
Data scaling software	SCALA
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.900	2.800
High resolution limit [Å]	2.200	2.200
Rmerge	0.160	0.360
Number of reflections	38849
<I/σ(I)>	6.8	3.7
Completeness [%]	91.0	87.2
Redundancy	2.9	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4		20% PEG6000, 0.1 M SODIUM ACETATE PH 4, 50 MM CALCIUM CHLORIDE, 10 MM CELLOBIOSE