8ONN

Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A complexed with 3-aminooxypropionic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-11
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	0.75268
Spacegroup name	C 1 2 1
Unit cell lengths	141.102, 51.335, 205.289
Unit cell angles	90.00, 110.03, 90.00

Refinement procedure

Resolution	47.550 - 2.100
R-factor	0.25809
Rwork	0.256
R-free	0.29834
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.039
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.550	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.115	0.698
Rmeas	0.132	0.800
Rpim	0.063	0.387
Total number of observations	333904	18601
Number of reflections	79705	4502
<I/σ(I)>	7.9	1.7
Completeness [%]	98.0
Redundancy	4.2	4.1
CC(1/2)	0.994	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	0.02M Sodium/potassium phosphate, 0.1M Bis-Tris propane pH 6.5, 20% w/v PEG3350