6K54

Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with trisaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	170.582, 138.699, 110.636
Unit cell angles	90.00, 101.99, 90.00

Refinement procedure

Resolution	35.944 - 1.905
R-factor	0.1769
Rwork	0.176
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6k52
RMSD bond length	0.007
RMSD bond angle	0.858
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.944	1.973
High resolution limit [Å]	1.905	1.905
Rmerge	0.127
Rmeas	0.138
Rpim	0.053	0.446
Number of reflections	194529	109980
<I/σ(I)>	17.78	2.4
Completeness [%]	99.3	94.47
Redundancy	6.6	6
CC(1/2)	0.996	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% (w/v) PEG1000, 0.2M calcium acetate, 0.1M imidazole (pH 8.0), 0.5mM cellotriose