8YJ4

The complex structure of SdnG with its analogue of substrate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	C 1 2 1
Unit cell lengths	122.960, 111.210, 81.590
Unit cell angles	90.00, 113.03, 90.00

Refinement procedure

Resolution	30.740 - 2.200
R-factor	0.203
Rwork	0.201
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.646
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]	38.520	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.088	0.971
Rpim	0.105	0.603
Number of reflections	51083	4441
<I/σ(I)>	14.5	1.8
Completeness [%]	99.7	99.6
Redundancy	6.8
CC(1/2)	0.999	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289.15	12.5% PEG 1000, 12.5% PEG 3350, 12.5% MPD, 0.02M of each alcohol, 0.1M Bicine/Tris pH 8.5, alcohol (0.2M 1,6-hexanediol, 0.2M 1-butanol, 0.2M (RS)-1,2- propanediol, 0.2M 2-propanol, 0.2M 1,4-butanediol, 0.2M 1,3-propanediol)