8AYK

Crystal structure of D-amino acid aminotrensferase from Aminobacterium colombiense 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	61.552, 90.013, 100.859
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.480 - 1.900
R-factor	0.1961
Rwork	0.195
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ahr
RMSD bond length	0.012
RMSD bond angle	1.666
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.7.7)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	21.480	21.480	1.940
High resolution limit [Å]	1.900	8.910	1.900
Rmerge	0.105	0.024	1.109
Rmeas	0.111	0.026	1.161
Rpim	0.033	0.011	0.341
Total number of observations	477331	2221	32887
Number of reflections	44299	443	2898
<I/σ(I)>	19.3	48	2.6
Completeness [%]	98.8	89.4	97.5
Redundancy	10.8	5	11.3
CC(1/2)	0.999	0.999	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	0.2M NaNitrate, 0.1M Bis-tris propane pH 6,5,20% PEG3350