6FX1
Crystal structure of Pholiota squarrosa lectin in complex with an octasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 91.000, 95.593, 110.633 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.880 - 2.100 |
R-factor | 0.18567 |
Rwork | 0.184 |
R-free | 0.21925 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PhosL |
RMSD bond length | 0.015 |
RMSD bond angle | 1.851 |
Data reduction software | XDS (20160617) |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.880 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.045 | 0.466 |
Number of reflections | 56993 | |
<I/σ(I)> | 18.6 | 3.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.2 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 3.2 M Na malonate pH5 |