9PXS

Crystal Structure of Staphylococcus aureus D-alanine aminotransferase in complex with pyridoxal 5'-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2024-09-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	74.057, 74.057, 113.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.120 - 2.940
R-factor	0.2241
Rwork	0.220
R-free	0.28750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.211
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.120	3.045
High resolution limit [Å]	2.940	2.940
Rmerge	0.363
Number of reflections	7165	683
<I/σ(I)>	7.64
Completeness [%]	98.2	85.34
Redundancy	13.8
CC(1/2)	0.992	0.398

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M BIS-TRIS pH 6.5, 45% v/v Polypropylene glycol P 400