9UJD

Crystal structure of a Transaminase PaTA from Pseudonocardia ammonioxydans in complex with PLP and LLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	I 2 3
Unit cell lengths	237.198, 237.198, 237.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.490 - 2.800
R-factor	0.2072
Rwork	0.205
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.550	2.880
High resolution limit [Å]	2.800	2.800
Number of reflections	54528	4467
<I/σ(I)>	27.5	1.6
Completeness [%]	100.0	100
Redundancy	61.1	51.8
CC(1/2)	1.000	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.05 M Sodium HEPES, 0.05 M MOPS, pH 7.5, 0.03 M Diethylene glycol, 0.03 M Triethylene glycol, 0.03 M Triethylene glycol, 0.03 M Pentaethylene glycol, 12.5% (v/v) MPD, 12.5% (v/v) PEG1000, 12.5% (v/v) PEG3350