7A5Q
Crystal structure of VcSiaP bound to sialic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000009 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.354, 106.738, 134.506 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.500 - 1.680 |
R-factor | 0.2144 |
Rwork | 0.213 |
R-free | 0.24690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b50 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.809 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.500 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.089 | 0.920 |
Number of reflections | 152174 | 7732 |
<I/σ(I)> | 7.1 | 1.3 |
Completeness [%] | 99.6 | 97.8 |
Redundancy | 7.2 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Morpheus Screen (Molecular Dimensions) condition F4 |