6ZV5

CML1 crystal structure in complex with Lewis a tetrasaccharide

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	2019-07-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 31
Unit cell lengths	73.925, 73.925, 119.592
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.700 - 1.950
Rwork	0.187
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zu2
RMSD bond length	0.015
RMSD bond angle	1.734
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.700	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.056	0.500
Rmeas	0.064	0.575
Rpim	0.030	0.274
Number of reflections	52412	3768
<I/σ(I)>	13
Completeness [%]	98.4	99.4
Redundancy	4.3	4.2
CC(1/2)	0.999	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	1.6 M AMSO4, 100 mM trisodium pH 5.6. Crystal flashed freezed in liquid nitrogen after transfer in 2.5 M Li2SO4