7T9Z

Human Ornithine Aminotransferase (hOAT) crystallized at pH 6.0

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	2021-04-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.127
Spacegroup name	C 1 2 1
Unit cell lengths	200.910, 110.860, 56.930
Unit cell angles	90.00, 106.40, 90.00

Refinement procedure

Resolution	54.610 - 2.150
R-factor	0.2706
Rwork	0.266
R-free	0.27590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oat
RMSD bond length	0.006
RMSD bond angle	0.665
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.100	2.020
High resolution limit [Å]	1.990	1.990
Rpim	0.133
Number of reflections	60876	14325
<I/σ(I)>	4.9	1.2
Completeness [%]	92.5
Redundancy	3.4
CC(1/2)	0.986	0.371

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	Purified holo-hOAT was buffer-exchanged into 100 mM MES, 200 mM NaCl, 100 uM PLP, pH 6.0 buffer, and then concentrated to ~6 mg/mL. The crystallization was performed via the hanging drop vapor diffusion method according to previously published conditions with 50 mM Tricine pH 7.8 substituted to 50 mM MES pH 6.0 buffer. The crystals grew at room temperature within three days and reached their maximum size in a week.