6TID

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98096
Spacegroup name	H 3 2
Unit cell lengths	42.696, 42.696, 308.584
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.710 - 1.614
Rwork	0.158
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wq4
RMSD bond length	0.014
RMSD bond angle	1.779
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.710	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.049	0.588
Rmeas	0.056	0.643
Rpim	0.027	0.320
Number of reflections	14606	712
<I/σ(I)>	23.9	3.7
Completeness [%]	99.7	97.5
Redundancy	7.8	7.7
CC(1/2)	0.999	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	1.2 M Na citrate pH 7.0 cryoprotected in 2.5 M sodium malonate