6YQ6

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	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-11-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	185.994, 185.994, 75.638
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.471 - 2.080
Rwork	0.168
R-free	0.20350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4osp
RMSD bond length	0.015
RMSD bond angle	1.830
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]	47.471	2.130
High resolution limit [Å]	2.080	2.080
Rmerge	0.399	2.839
Rmeas	0.409	2.912
Number of reflections	87905	14133
<I/σ(I)>	12.5	1.7
Completeness [%]	99.8	99
Redundancy	20.9
CC(1/2)	0.994	0.431

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.3 M NaCl, 0.1 M Na Cacodylate, pH 6.5, 1.5 M (NH4)2SO4