6TSO
Marasmius oreades agglutinin (MOA) inhibited by cadmium
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 2.0664 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 120.752, 120.752, 99.541 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.300 - 2.100 |
Rwork | 0.193 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ef2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.576 |
Data reduction software | XDS (28-Nov-2019) |
Data scaling software | XDS (28-Nov-2019) |
Phasing software | PHASER (7.0.078) |
Refinement software | REFMAC (7.0.078) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.300 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.196 | 1.650 |
Rmeas | 0.218 | 1.850 |
Rpim | 0.094 | 0.818 |
Number of reflections | 44615 | 1659 |
<I/σ(I)> | 7.6 | |
Completeness [%] | 92.6 | 84.8 |
Redundancy | 5.1 | |
CC(1/2) | 0.995 | 0.518 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.1 M cacodylate/HCl pH 6.5, 16% PEG 8000, 0.2 M sodium acetate, 1 mM CdCl2, 10 mM CaCl2, 12.5% DMSO, 5 mM DTT |