8EZ1

Human Ornithine Aminotransferase (hOAT) co-crystallized with its inactivator 3-Amino-4-fluorocyclopentenecarboxylic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.127
Spacegroup name	C 1 2 1
Unit cell lengths	202.170, 110.290, 57.120
Unit cell angles	90.00, 103.72, 90.00

Refinement procedure

Resolution	36.020 - 1.910
R-factor	0.1909
Rwork	0.189
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oat
RMSD bond length	0.012
RMSD bond angle	1.173
Data reduction software	xia2
Data scaling software	Aimless
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.020	1.960
High resolution limit [Å]	1.910	1.910
Number of reflections	92197	6637
<I/σ(I)>	6.1
Completeness [%]	98.0
Redundancy	4.2
CC(1/2)	0.992	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	The crystals with the best morphology and size grew in a final condition containing 10% PEG 6000, 100 mM NaCl, 10% glycerol, 100 mM Tricine pH 7.8.