7XE8

Crystal structure of imine reductase from Streptomyces albidoflavus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	110.487, 65.819, 126.874
Unit cell angles	90.00, 103.77, 90.00

Refinement procedure

Resolution	27.070 - 1.720
R-factor	0.1731
Rwork	0.172
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zgy
RMSD bond length	0.009
RMSD bond angle	1.016
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.070	1.781
High resolution limit [Å]	1.720	1.720
Rmerge	0.036	0.419
Rmeas	0.039
Rpim	0.015
Number of reflections	90868	8782
<I/σ(I)>	28.13	2.75
Completeness [%]	96.6
Redundancy	6.4
CC(1/2)	1.000	0.212

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.2M ammonium acetate, 0.1M Bis Tris pH5.5, 25% PEG 3350