8HT4

Crystal structure of Acetylornithine aminotransferase complex with PLP from Corynebacterium glutamicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-07
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	109.284, 119.023, 55.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.510 - 2.510
R-factor	0.175
Rwork	0.171
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ht2
RMSD bond length	0.008
RMSD bond angle	1.633
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.153	0.148	0.283
Rmeas	0.166	0.163	0.308
Rpim	0.064	0.065	0.118
Total number of observations	161300
Number of reflections	24581	1367	1192
<I/σ(I)>	11.7
Completeness [%]	97.2	97.6	97.5
Redundancy	6.6	5.9	6.6
CC(1/2)		0.972	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	12% (W/V) PEG 3350, 8% Tacsimate pH 5.0