6TN6

X-ray structure of the endo-beta-1,4-mannanase from Thermotoga petrophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-13
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97
Spacegroup name	I 21 3
Unit cell lengths	174.710, 174.710, 174.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.693 - 1.450
R-factor	0.1381
Rwork	0.137
R-free	0.15060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pz9
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (v1.15.2-3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.693	1.490
High resolution limit [Å]	1.450	1.450
Rmeas	0.043
Number of reflections	303865	11434
<I/σ(I)>	23.26
Completeness [%]	99.9
Redundancy	6.67
CC(1/2)	1.000	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Morpheus screen D12 condition