7N7V

Crystal structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes at 2 A.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-22
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	50.570, 84.516, 168.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.450 - 1.990
R-factor	0.1886
Rwork	0.187
R-free	0.22330
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.623
Data reduction software	XDS (Oct 15, 2015)
Data scaling software	XDS
Phasing software	AutoSol (1.10)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.450	48.450	2.110
High resolution limit [Å]	1.990	5.960	1.990
Rmerge	0.101	0.044	1.557
Rmeas	0.109	0.048	1.732
Number of reflections	99754	2004	7697
<I/σ(I)>	11.77	36.24	1.1
Completeness [%]	99.2	96.8	95.6
Redundancy	7.029	6.551	5.167
CC(1/2)	0.998	0.998	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2 M magnesium chloride, 0.1 M HEPES, pH 7.5, 25% (w/v) PEG 3350
2