3W6M

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	160.236, 58.675, 138.539
Unit cell angles	90.00, 108.94, 90.00

Refinement procedure

Resolution	34.534 - 1.948
R-factor	0.156
Rwork	0.154
R-free	0.18820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.083
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.948	5.290	1.950
Rmerge	0.085	0.052	0.305
Number of reflections	88558
<I/σ(I)>	11.9
Completeness [%]	99.5	99.6	98.5
Redundancy	4.4	4.4	4.1

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