7YX8

Crystal structure of the AM0627 (E326A) inactive mutant in complex with PSGL-1-like bis-T glycopeptide and Zn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	73.145, 82.687, 172.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.300 - 1.500
R-factor	0.16761
Rwork	0.167
R-free	0.18206
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.553
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	172.610	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.058	1.092
Number of reflections	167774	24256
<I/σ(I)>	12.6	1.6
Completeness [%]	100.0
Redundancy	7.3
CC(1/2)	0.999	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Monosaccharides, Buffer system 1 pH 6.5, Precipitant mix 2 (Molecular Dimensions)