2D0T

Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	90
Detector technology	CCD
Collection date	2003-10-03
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.9780, 1.7377, 1.7400, 1.7350, 1.7420, 1.7388
Spacegroup name	P 21 21 21
Unit cell lengths	86.070, 98.027, 130.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 2.300
R-factor	0.242
Rwork	0.191
R-free	0.22100
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.200	2.300
Rmerge	0.053	0.283
Number of reflections	48799
<I/σ(I)>	16.3	1.95
Completeness [%]	86.1	50.7
Redundancy	4.8	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	PEG 8000, ches, ammonium acetate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K