6AZU

Holo IDO1 crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-04-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	119.109, 177.513, 101.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.023 - 2.822
R-factor	0.2138
Rwork	0.211
R-free	0.27180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d0t
RMSD bond length	0.010
RMSD bond angle	1.335
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.023	34.023	2.970
High resolution limit [Å]	2.822	8.920	2.822
Rmerge		0.051	0.702
Rmeas	0.179	0.059	0.844
Rpim	0.070	0.024	0.323
Total number of observations	343658
Number of reflections	52390	1784	7581
<I/σ(I)>	9.3	10.1	1.1
Completeness [%]	99.9	97.8	100
Redundancy	6.6	5.9	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	20% PEG-3350, 0.2 M LiSO4, 0.1 M BT pH 5.5