2DTD

Structure of Thermoplasma acidophilum aldohexose dehydrogenase (AldT) in ligand-free form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.90000
Spacegroup name	P 32 2 1
Unit cell lengths	81.830, 81.830, 138.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.100
Rwork	0.189
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gco
RMSD bond length	0.007
RMSD bond angle	1.309
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	32006
<I/σ(I)>	24.2	6.7
Completeness [%]	100.0	99.9
Redundancy	10.7	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	16% PEG 3350, 0.2M ammonium sulfate, 15% glycerol, 0.1M sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K