6K52

Hyperthermophilic GH6 cellobiohydrolase (HmCel6A) from the microbial flora of a Japanese hot spring

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)	1.0000
Spacegroup name	H 3 2
Unit cell lengths	141.168, 141.168, 223.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.910 - 1.680
R-factor	0.1756834674
Rwork	0.175
R-free	0.19584
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oc5
RMSD bond length	0.007
RMSD bond angle	1.127
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.071	0.597
Rmeas	0.074	0.617
Rpim	0.018	0.155
Number of reflections	97033	9626
<I/σ(I)>	36.7	6.6
Completeness [%]	100.0	100
Redundancy	16.3	15.7
CC(1/2)	1.000	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% (W/V) PEG 1000, 0.2M CAICIUM ACETATE, 0.1M IMIDAZOLE (PH 8.0)