8KFK

Crystal Structure of Imine Reductase from Paenibacillus mucilaginosus

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	2021-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 61
Unit cell lengths	133.771, 133.771, 62.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.210 - 2.500
R-factor	0.2095
Rwork	0.207
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.067
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.150	0.904
Rpim	0.051	0.281
Number of reflections	42733	1977
<I/σ(I)>	17.3	4.9
Completeness [%]	99.3	100
Redundancy	10.18	10.99
CC(1/2)	0.997	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.0 M Ammonium sulfate, 0.1 M Sodium acetate/Hydrochloric acid pH 4.6