3ITW

Crystal structure of TioX from Micromonospora sp. ML1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Collection date	2007-08-16
Spacegroup name	I 41 2 2
Unit cell lengths	109.321, 109.321, 143.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.150
R-factor	0.23403
Rwork	0.232
R-free	0.26786
Structure solution method	Se MAD/MIR
RMSD bond length	0.009
RMSD bond angle	1.170
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.150
Number of reflections	47329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	Reservoir solution: 400 mM sodium potassium tartrate, 25 mM ammonium sulfate, 2% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	8	295	Reservoir solution: 400 mM sodium potassium tartrate, 25 mM ammonium sulfate, 2% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K