7E7G

2-aminoethylphosphonate:pyruvate aminotransferase (AEPT) native

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 2
Unit cell lengths	48.595, 69.207, 83.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.627 - 2.350
Rwork	0.210
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m32
RMSD bond length	0.006
RMSD bond angle	1.401
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.350	2.350
Rpim	0.064	0.329
Number of reflections	12533	602
<I/σ(I)>	22.2	1.7
Completeness [%]	99.7
Redundancy	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	289	25% (w/v) PEG-3350, 0.1M Bis-Tris pH 6.5, 0.2 M Magnesium chloride hexahydrate.