12AX

Human Ornithine Aminotransferase soaked with its inhibitor, (3S,4R)-3-amino-4-ethynylcyclopent-1-ene-1-carboxylic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-12-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	115.837, 115.837, 186.331
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.270 - 1.580
R-factor	0.1641
Rwork	0.163
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.325
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]	100.318	1.673
High resolution limit [Å]	1.577	1.577
Number of reflections	172039	8602
<I/σ(I)>	11.1
Completeness [%]	96.0
Redundancy	20.8
CC(1/2)	0.998	0.187

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	8% PEG 6000, 0.1 M NaCl, 2% glycerol, 100 mM Tricine pH 7.8