6TIG

Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) antigen

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	74.368, 42.882, 102.648
Unit cell angles	90.00, 96.01, 90.00

Refinement procedure

Resolution	37.100 - 1.900
Rwork	0.165
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tid
RMSD bond length	0.015
RMSD bond angle	1.998
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.100	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.077	0.363
Rmeas	0.105	0.486
Rpim	0.071	0.320
Number of reflections	25081	1628
<I/σ(I)>	8.7	2.9
Completeness [%]	97.9	97
Redundancy	3.5	3.5
CC(1/2)	0.995	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	Sodium citrate 1.2M