9J5Q

Imine Reductase from Burholderia ubonensis in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-14
Detector	Bruker PHOTON III
Wavelength(s)	0.979183
Spacegroup name	P 65 2 2
Unit cell lengths	72.389, 72.389, 186.176
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.000 - 1.670
Rwork	0.207
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.831
Data reduction software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.690	1.760
High resolution limit [Å]	1.670	1.670
Rmerge		1.274
Number of reflections	34475	26279
<I/σ(I)>	14.3
Completeness [%]	99.8
Redundancy	6.3
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG3350,Lithium sulphat,Bis-Tris