7UI3

Apo-form of Human Tryptophan 2,3-Dioxygenase Induced by NADH Binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.549750
Spacegroup name	P 21 21 2
Unit cell lengths	143.855, 156.264, 88.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.974 - 3.180
Rwork	0.244
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pyz
RMSD bond length	0.004
RMSD bond angle	1.276
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.974	19.970	3.340
High resolution limit [Å]	3.180	10.550	3.180
Rmerge	0.098	0.032	2.888
Rmeas	0.106	0.034	3.115
Rpim	0.040	0.012	1.163
Number of reflections	34269	893	4497
<I/σ(I)>	18.5
Completeness [%]	99.5
Redundancy	12.9	13.2	13.8
CC(1/2)	1.000	1.000	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.6	293	50 mM Sodium Citrate, pH 5.6 2% Tacsimate PEG 3350 (4-12%)