28YL

Crystal structure of the zeamine pathway ketoreductase Zmn13-KR, in complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.8731
Spacegroup name	C 2 2 21
Unit cell lengths	80.342, 109.321, 208.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.739 - 1.900
Rwork	0.184
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.454
Data reduction software	XDS (Jan 19, 2025)
Data scaling software	Aimless (v0.8.2)
Phasing software	MOLREP (v11.9.02)
Refinement software	REFMAC (v5.8.0431 (refmacat 0.4.126))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.740	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.103	0.577
Rmeas	0.118	0.668
Rpim	0.056	0.327
Number of reflections	70494	4428
<I/σ(I)>	7.2	1.7
Completeness [%]	97.7	95.3
Redundancy	3.9
CC(1/2)	0.996	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	0.1 M HEPES, 10% (v/v) isopropanol, 5% (v/v) glycerol