6YQ3

Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	298
Detector technology	CCD
Collection date	2019-07-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	I 1 2 1
Unit cell lengths	87.969, 60.214, 88.308
Unit cell angles	90.00, 102.46, 90.00

Refinement procedure

Resolution	24.696 - 1.570
Rwork	0.142
R-free	0.16630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4osp
RMSD bond length	0.017
RMSD bond angle	2.114
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.700	1.610
High resolution limit [Å]	1.570	1.570
Rmerge	0.053	0.464
Rmeas	0.064	0.566
Number of reflections	60525	6124
<I/σ(I)>	22.5	2.7
Completeness [%]	98.1
Redundancy	2.9	2.8
CC(1/2)	0.999	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 3350, 0.1 M Na Malonate, 0.1 M BIS-TRIS prop, pH 6.5