3R1J

Crystal structure of Alpha-ketoglutarate-dependent taurine dioxygenase from Mycobacterium avium, native form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-22
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.541780
Spacegroup name	P 21 21 2
Unit cell lengths	70.950, 105.310, 89.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.780 - 2.050
R-factor	0.173
Rwork	0.171
R-free	0.20000
Structure solution method	MR
Starting model (for MR)	1oij
RMSD bond length	0.013
RMSD bond angle	1.365
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.090		2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.081	0.024	0.424
Number of reflections	42570	546	3103
<I/σ(I)>	15.84	54.8	3.1
Completeness [%]	99.7	98	99.3
Redundancy	5.7		3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	Internal tracking number 218640E10. PACT screen condition E10: 0.2 M Na/K Phosphate, 20% PEG3350, MyavA.01188.b.A1 PW28977 at 28.9mg/ml. Cryoprotection: 25% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 290K