10LW

Final Adduct of Human Ornithine Aminotransferase Inactivated by (1R,4S)-4-Amino-3-(trifluoromethyl)cyclopent-2-ene-1-carboxylic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	115.485, 115.485, 187.081
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.010 - 1.930
R-factor	0.1818
Rwork	0.180
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.854
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	1.960
High resolution limit [Å]	1.930	1.930
Number of reflections	102426	102426
<I/σ(I)>	16.8
Completeness [%]	93.7
Redundancy	6.9
CC(1/2)	1.000	0.329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	7.25%-8.50% PEG 6000, 100 mM-250 mM NaCl, 2-3.5% glycerol, and 100 mM Tricine pH 7.8.