4L6X

Crystal Structure of a GH48 cellobiohydrolase from Caldicellulosiruptor bescii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-28
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	116.123, 57.562, 106.469
Unit cell angles	90.00, 102.57, 90.00

Refinement procedure

Resolution	38.490 - 1.700
R-factor	0.21713
Rwork	0.216
R-free	0.23335
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.954
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.061	0.029	0.405
Number of reflections	75252
<I/σ(I)>	17.9
Completeness [%]	99.6	96.9	99.9
Redundancy	7.3	6.6	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	287	18% PEG 4000,0.1 M Tris-Bis,18% 2-Propanol , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K