9J4Y

Crystal Structure of the L322F mutant of Omega Transaminase TA_2799 from Pseudomonas putida KT2440

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2023-04-11
Detector	RAYONIX MX225HE
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	119.160, 121.440, 147.410
Unit cell angles	90.00, 111.88, 90.00

Refinement procedure

Resolution	39.480 - 2.500
R-factor	0.19621
Rwork	0.194
R-free	0.23279
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.289
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.180	1.180
Number of reflections	133254	14679
<I/σ(I)>	8.71
Completeness [%]	98.8
Redundancy	3.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.2M Lithium sulphate, 0.1M bis-Tris pH 5.5, 25% PEG 3350