22PO

Class III Aminotransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	146.48
Detector technology	PIXEL
Collection date	2021-11-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	100.809, 152.264, 117.371
Unit cell angles	90.00, 104.60, 90.00

Refinement procedure

Resolution	33.560 - 2.310
R-factor	0.199
Rwork	0.196
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.094
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.310	2.310
Rmerge	0.084	0.724
Number of reflections	147794	14267
<I/σ(I)>	17.32
Completeness [%]	99.3
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.1M Tris-HCl (pH 8.5), 0.2M magnesium chloride, 15% of PEG 8000