7WXE

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	2021-10-12
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	28.960 - 2.500
R-factor	0.2089
Rwork	0.206
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d3f
RMSD bond length	0.009
RMSD bond angle	1.027
Data reduction software	HKL-3000
Data scaling software	HKL-3000
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	0.127	0.786
Rpim	0.043	0.421
Number of reflections	43954	1963
<I/σ(I)>	12.8	2
Completeness [%]	99.8	99.8
Redundancy	12.6	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	ammouim sulfate, sodium acetate