8JKU

Ancestral imine reductase N559

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	2023-05-27
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	71.676, 76.167, 104.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.650 - 2.570
R-factor	0.1999
Rwork	0.197
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	9.372
Data reduction software	XDS (v0.7.7)
Data scaling software	XDS (v0.7.7)
Phasing software	PHENIX (V1.20.1_4487)
Refinement software	PHENIX (V1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.650	8.120
High resolution limit [Å]	2.570	2.570
Number of reflections	21985	18223
<I/σ(I)>	10.2
Completeness [%]	97.0
Redundancy	3.1
CC(1/2)	0.993	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	PEG 3350, sodium chloride, Bis-tris