8ONL

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	KURCHATOV SNC BEAMLINE K4.4
Synchrotron site	KURCHATOV SNC
Beamline	K4.4
Temperature [K]	100
Detector technology	CCD
Collection date	2022-06-28
Detector	MAR CCD 165 mm
Wavelength(s)	0.74503
Spacegroup name	P 21 21 21
Unit cell lengths	61.429, 88.013, 99.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.700 - 1.900
R-factor	0.21577
Rwork	0.213
R-free	0.26317
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.798
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.970	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.110	0.690
Rmeas	0.122	0.763
Rpim	0.052	0.321
Total number of observations	232841	15179
Number of reflections	43170	2747
<I/σ(I)>	10.4	2.5
Completeness [%]	99.7
Redundancy	5.4	5.5
CC(1/2)	0.997	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	0.2 M NaNitrate, 0.1 M Bis-tris propane pH 6.5, 20% PEG 3350