7XG5

Crystal structure of an (R)-selective omega-transaminase mutant from Aspergillus terreus with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	106.405, 137.818, 117.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.360 - 1.760
R-factor	0.1603
Rwork	0.160
R-free	0.18140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ce5
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.360	29.360	1.870
High resolution limit [Å]	1.760	5.270	1.760
Rmerge	0.160	0.062	1.014
Rmeas	0.167	0.064	1.058
Total number of observations	1107124
Number of reflections	83864	3387	12671
<I/σ(I)>	13.87	39.65	2.47
Completeness [%]	98.9	99.8	93.3
Redundancy	13.201	13.569	12.058
CC(1/2)	0.998	0.999	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	pH 7.5