2NW7

Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferric heme. Northeast Structural Genomics Target XcR13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97900
Spacegroup name	P 21 21 21
Unit cell lengths	88.939, 109.359, 125.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.430 - 2.700
R-factor	0.257
Rwork	0.257
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yw0
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	COMO
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.430	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.130	0.368
Number of reflections	37833
<I/σ(I)>	10.4	2.74
Completeness [%]	98.7	94.4
Redundancy	4.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.15	293	50mM MES, 12% PEG1000, 60mM Manganese chloride, pH 6.15, VAPOR DIFFUSION, HANGING DROP, temperature 293K