8B7S

Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00004
Spacegroup name	I 1 2 1
Unit cell lengths	74.623, 43.806, 164.698
Unit cell angles	90.00, 91.06, 90.00

Refinement procedure

Resolution	44.609 - 2.100
R-factor	0.2085
Rwork	0.207
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.609	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.128	1.702
Rpim	0.055	0.732
Number of reflections	31156	2528
<I/σ(I)>	9.8	1.4
Completeness [%]	98.7	98.9
Redundancy	6.9	7.2
CC(1/2)	0.998	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Morpheus-D03: 10% w/v PEG 4000, 20% v/v glycerol 0.02 M of each alcohol (1,6-hexanediol, M 1-butanol, (RS)-1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-propanediol), 0.1 M MES/imidazole pH 6.5