7XG6

Crystal structure of an (R)-selective omega-transaminase mutant from Aspergillus terreus with covalently bound 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	2021-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	105.764, 136.299, 116.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.160 - 1.320
R-factor	0.1541
Rwork	0.154
R-free	0.16330
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]	39.160	39.160	1.400
High resolution limit [Å]	1.320	3.950	1.320
Rmerge	0.068	0.030	0.635
Rmeas	0.073	0.032	0.682
Total number of observations	1457835
Number of reflections	195760	7677	31190
<I/σ(I)>	17.34	63.58	2.86
Completeness [%]	99.7	99.7	98.9
Redundancy	7.447	7.881	7.523
CC(1/2)	0.999	0.999	0.840

Crystallization Conditions

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