6XDK

Crystal structure of Phosphoserine aminotransferase (SerC) from Stenotrophomonas maltophilia K279a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2020-05-06
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	64.350, 71.620, 89.860
Unit cell angles	84.98, 88.82, 63.37

Refinement procedure

Resolution	48.850 - 1.600
R-factor	0.1563
Rwork	0.156
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xk1 in two domains per MoRDa
RMSD bond length	0.010
RMSD bond angle	1.085
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.055	0.029	0.609
Rmeas	0.058	0.030	0.665
Number of reflections	183658	2086	12478
<I/σ(I)>	21.99	75.97	2.71
Completeness [%]	97.4	99.5	89.3
Redundancy	8.238	14.652	5.776
CC(1/2)	0.999	1.000	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Molecular Dimensions Morpheus screen condition A2: 10% (w/V) 8000, 20% (V/V) ethylene glycol: 30mM of each magnesium chloride, calcium chloride: 100mM MES / imidazole pH 6.5: StmaA.00980.a.B1.PW38764 at 25.7mg/ml: tray: 314406a2: cryo: reservoir + 5% 50mM PLP in DMSO: puck mcj9-7