6GHV
Structure of a DC-SIGN CRD in complex with high affinity glycomimetic.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-27 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 105.612, 57.507, 107.247 |
Unit cell angles | 90.00, 118.67, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.100 |
R-factor | 0.17879 |
Rwork | 0.176 |
R-free | 0.23357 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k9i |
RMSD bond length | 0.017 |
RMSD bond angle | 1.625 |
Data reduction software | XDS (20180126) |
Data scaling software | XSCALE (20180126) |
Phasing software | MOLREP (11.6.02) |
Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 45.000 | 2.200 |
High resolution limit [Å] | 2.100 | 40.000 | 2.100 |
Rmerge | 0.099 | 0.545 | |
Rmeas | 0.120 | 0.668 | |
Number of reflections | 65455 | 8427 | |
<I/σ(I)> | 8.47 | 2.01 | |
Completeness [%] | 98.4 | 97.9 | |
Redundancy | 3.087 | 2.807 | |
CC(1/2) | 0.993 | 0.769 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 3350, 200mM Mg(NO3)2, 100mM MES pH6. Protein sample: 150mM NaCl, 4mM CaCl2, 25mM Tris pH8, 2% DMSO, 3.25 mM ligand and 5.54mg/mL protein. |