9J0V

Crystal structure of monomeric PLP-dependent transaminase from Desulfobacula toluolica in P 21 21 21 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.88560
Spacegroup name	P 21 21 21
Unit cell lengths	37.847, 56.226, 118.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.810 - 1.790
R-factor	0.19522
Rwork	0.193
R-free	0.23575
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.100
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.810	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.047	0.670
Rmeas	0.056	0.787
Rpim	0.028	0.405
Total number of observations	88078	4831
Number of reflections	24352	1401
<I/σ(I)>	13.4	1.5
Completeness [%]	98.8
Redundancy	3.6	3.4
CC(1/2)	0.998	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	0.1M Ammonium acetate, 0.1M Bis-tris pH 5.5, 17% PEG 10000