9Y3K

Crystal Structure of Human Ornithine Aminotransferase Pre-Inactivated by CPP115 (Tight Binding)

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	2025-04-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 32 2 1
Unit cell lengths	115.710, 115.710, 187.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.030 - 2.150
R-factor	0.1631
Rwork	0.161
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.981
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.280	2.210
High resolution limit [Å]	2.150	2.150
Number of reflections	79584	5828
<I/σ(I)>	15.8	1.4
Completeness [%]	100.0
Redundancy	11.2
CC(1/2)	0.999	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	10% PEG 6000, 100 mM Nacl, 14% glycerol, pH 7.8