12AL

Human Ornithine Aminotransferase soaked with its inhibitor, (S)-3-amino-4-vinylidenecyclopent-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)	0.987
Spacegroup name	P 32 2 1
Unit cell lengths	115.532, 115.532, 186.089
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.170 - 1.720
R-factor	0.1673
Rwork	0.166
R-free	0.19520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.853
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]	100.054	1.746
High resolution limit [Å]	1.717	1.717
Number of reflections	153403	161230
<I/σ(I)>	13.3
Completeness [%]	100.0
Redundancy	21
CC(1/2)	0.999	0.356

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	7.5% PEG 6000, 0.15 M NaCl, 2.5% glycerol, 100 mM Tricine pH 7.8