8ONM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-25
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	61.400, 89.435, 101.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 1.850
R-factor	0.19803
Rwork	0.195
R-free	0.25006
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.686
Data reduction software	CrysalisPro
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]	19.760	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.113	0.997
Rmeas	0.119	1.041
Rpim	0.035	0.295
Total number of observations	560284	35180
Number of reflections	48141	2886
<I/σ(I)>	15.9	2.7
Completeness [%]	99.6
Redundancy	11.6	12.2
CC(1/2)	0.998	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	0.2M NaNitrate, 0.1M Bis-tris propane pH 6.5, 20% PEG3350