9J5T

Imine Reductase from Burkholderia ubonensis in complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-20
Detector	Bruker PHOTON III
Wavelength(s)	0.979183
Spacegroup name	P 65 2 2
Unit cell lengths	69.951, 69.951, 187.452
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.030 - 1.430
R-factor	0.1828
Rwork	0.181
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.018
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.730	1.500
High resolution limit [Å]	1.430	1.430
Rpim	0.047	0.725
Number of reflections	94765	7071
<I/σ(I)>	9.8
Completeness [%]	99.6
Redundancy	13.8

Crystallization Conditions

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