9LXM

Imine Reductase from Bacillus cereus 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	2023-10-14
Detector	Bruker PHOTON III
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	60.080, 72.400, 122.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.030 - 2.130
R-factor	0.21062
Rwork	0.207
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.666
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.030	2.190
High resolution limit [Å]	2.130	2.130
Number of reflections	30625	2208
<I/σ(I)>	12.5
Completeness [%]	99.6
Redundancy	11.6
CC(1/2)	0.999	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG3350,magnesium diformate