9J0U

Crystal structure of monomeric PLP-dependent transaminase from Desulfobacula toluolica in F 41 3 2 space group

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.89999
Spacegroup name	F 41 3 2
Unit cell lengths	250.089, 250.089, 250.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.580 - 2.580
R-factor	0.21116
Rwork	0.209
R-free	0.25274
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	3.474
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]	144.390	2.690
High resolution limit [Å]	2.580	2.580
Rmerge	0.191	9.059
Rmeas	0.192	9.174
Rpim	0.023	1.437
Total number of observations	1452550	97661
Number of reflections	21699	2594
<I/σ(I)>	17.3	0.9
Completeness [%]	100.0
Redundancy	66.9	37.6
CC(1/2)	0.998	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	400mM NaNitrate, 0.1M Bis-tris propane pH 6.5, 20% PEG 3350