2ZUM

Functional Analysis of Hyperthermophilic Endocellulase from the Archaeon Pyrococcus horikoshii

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
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	77.150, 77.150, 161.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.580 - 1.950
R-factor	0.17398
Rwork	0.172
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ece
RMSD bond length	0.023
RMSD bond angle	1.929
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.4.0077)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.950
Number of reflections	35824
Completeness [%]	98.4
Redundancy	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	0.15M zinc acetate, 0.1M MES buffer pH 6.0, 40% (v/v) ethanol, VAPOR DIFFUSION, SITTING DROP, temperature 295K