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) |