3PZ9

Native structure of endo-1,4-beta-D-mannanase from Thermotoga petrophila RKU-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.4586
Spacegroup name	P 21 21 21
Unit cell lengths	55.463, 83.352, 92.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.330 - 1.420
R-factor	0.14714
Rwork	0.145
R-free	0.17849
Structure solution method	SIRAS
RMSD bond length	0.030
RMSD bond angle	2.229
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.330	1.470
High resolution limit [Å]	1.420	1.420
Number of reflections	80074
Completeness [%]	98.4	86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.8 M phosphate, 0.2 M sodium chloride, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K