3RY0

Crystal structure of TomN, a 4-Oxalocrotonate Tautomerase homologue in Tomaymycin biosynthetic pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	I 41 3 2
Unit cell lengths	117.637, 117.637, 117.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.400
R-factor	0.22222
Rwork	0.221
R-free	0.25116
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	2.355
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.180	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	27574
<I/σ(I)>	1.8
Completeness [%]	100.0	100
Redundancy	35.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	100mM magnesium acetate, 100mM sodium acetate, 5%-21% PEG8000, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K