7XR5

Crystal structure of imine reductase with NAPDH from Streptomyces albidoflavus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	76.282, 120.013, 76.458
Unit cell angles	90.00, 117.18, 90.00

Refinement procedure

Resolution	34.460 - 1.580
R-factor	0.1802
Rwork	0.179
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xe8
RMSD bond length	0.007
RMSD bond angle	1.091
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]	34.460	1.636
High resolution limit [Å]	1.580	1.580
Rmerge	0.080	0.894
Number of reflections	166817	16450
<I/σ(I)>	14.62	2.59
Completeness [%]	98.6
Redundancy	5.1
CC(1/2)	0.998	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	291	0.1M Bis-Tris ph7.5, 25% PEG 4000 0.25M NaCl