9G6W

L-SIGN CRD in complex with Man96.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.965459
Spacegroup name	P 65
Unit cell lengths	105.720, 105.720, 59.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.660 - 2.000
R-factor	0.23059
Rwork	0.228
R-free	0.28994
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.448
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.660	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	24815	1800
<I/σ(I)>	4.66
Completeness [%]	96.9	99
Redundancy	2.8
CC(1/2)	0.990	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Crystallization technique: sitting drop of 100 nL of protein and 50 nL of precipitant). Protein stock: 20.1 mg/mL, 3.75 mM ligand into 150 mM NaCl, 25 mM TRIS 8, 4 mM CaCl2. Precipitant: 1-13 of JCSG-plus screen Molecular Dimensions (0.8 M ammonium sulfate, 0.1 M citrate pH 4).