3W6L

Contribution of disulfide bond toward thermostability in hyperthermostable endocellulase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	163.103, 58.340, 137.915
Unit cell angles	90.00, 109.65, 90.00

Refinement procedure

Resolution	37.527 - 1.751
R-factor	0.1777
Rwork	0.176
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.072
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.750
Rmerge	0.073
Number of reflections	121695
<I/σ(I)>	21.7
Completeness [%]	98.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	1.5M ammonium phosphate, 0.1M MES buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K