9B2Y

Kynurenine monooxygenase from Pseudomonas fluorescens complexed with 4-chlorophenylacetyltetrazole

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	69.410, 51.660, 134.980
Unit cell angles	90.00, 103.86, 90.00

Refinement procedure

Resolution	43.680 - 2.050
R-factor	0.2069
Rwork	0.205
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	11.755
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.680	2.100
High resolution limit [Å]	2.050	2.050
Number of reflections	104865	7765
<I/σ(I)>	6.09
Completeness [%]	93.7
Redundancy	2.3
CC(1/2)	0.998	0.176

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12%-14% PEG8k, 0.11M - 0.13M calcium acetate, 14% glycerol, 0.08M sodium cacodylate pH6