4U72

Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-07
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	85.971, 98.890, 131.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 2.000
R-factor	0.1879
Rwork	0.186
R-free	0.23110
RMSD bond length	0.021
RMSD bond angle	2.034
Data scaling software	HKL
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.054	0.464
Number of reflections	76205
<I/σ(I)>	37.033	2.75
Completeness [%]	99.4	94.9
Redundancy	7.6	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.1	293	12 % (W/V) PEG 8000, 0.2 M ammonium acetate, 1 mM 4-phenylimidazole, 0.1 M CHES