9VQK

crystal structure of an (R)-selective omega-transaminase from Ancylobacter lacus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95369
Spacegroup name	P 21 21 21
Unit cell lengths	77.968, 82.619, 197.688
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.020
R-factor	0.2011
Rwork	0.199
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.739
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.970	2.060
High resolution limit [Å]	2.020	2.020
Number of reflections	84343	4404
<I/σ(I)>	12.3
Completeness [%]	99.8
Redundancy	12.4
CC(1/2)	0.994	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.05M Magnesium chloride hexahydrate, 0.1M MES, 5%w/v PEG4000, 10% 2-Propanol