9K35

Crystal structure of a (R)-selective transaminase (RTA) from Sphingopyxis sp.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-18
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54
Spacegroup name	I 41 3 2
Unit cell lengths	192.951, 192.951, 192.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.110 - 2.300
R-factor	0.167
Rwork	0.165
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fte
RMSD bond length	0.007
RMSD bond angle	0.815
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.240	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.185	2.348
Number of reflections	27443	2652
<I/σ(I)>	27.7
Completeness [%]	100.0
Redundancy	67.7	26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	Crystals was obtained by mixing 1 uL protein sample (10 mg/mL) with 2 uL 1.6 M DL-malic acid pH 6.39 at 289K.