8YHM

The structure of SdnG covalently binding with the cope rearrangement product

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	44.830, 59.310, 107.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.880 - 1.720
R-factor	0.1914
Rwork	0.190
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.730
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.880	1.750
High resolution limit [Å]	1.720	1.720
Rmerge	0.082	1.350
Number of reflections	31340	1631
<I/σ(I)>	18.9
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)		0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289.15	0.1M MOPSO/bis-tris pH 6.5, 5%(w/v) PEG 20K, 25% (w/v) 1,1,1tris(hydroxymethyl)propane, 1%(w/v) NDSB 195, 0.5mM of each Lanthanide: 5mM erbium(III) chloride hexahydrate, 5mM terbium(III) chloride hexahydrate, 5mM ytterbium(III) chloride hexahydrate, 5mM yttrium(III) chloride hexahydrate