5AXG

Crystal structure of thermophilic dextranase from Thermoanaerobacter pseudethanolicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2012-06-04
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	81.342, 98.992, 171.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.690 - 1.850
R-factor	0.167
Rwork	0.166
R-free	0.19046
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Bacillus circulans T-3040 CITase (3WNK)
RMSD bond length	0.007
RMSD bond angle	1.215
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.690	1.880
High resolution limit [Å]	1.850	1.850
Rmerge		0.606
Number of reflections	118811
<I/σ(I)>	28.5	3.8
Completeness [%]	100.0	100
Redundancy	8.6	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10	293	1.35 M sodium dihydrogenphosphate dihydrate, 0.9 M potassium phosphate dibasic, 0.2 M lithium sulfate, 0.1 M 3-(cyclohexylamino)propane-1-sulfonic acid (pH 10.5)