6TSQ
Marasmius oreades agglutinin (MOA) activated by manganese (II)
This is a non-PDB format compatible entry.
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 | CCD |
Collection date | 2012-10-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.85051 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 120.952, 120.952, 99.477 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.300 - 1.850 |
Rwork | 0.156 |
R-free | 0.18240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ef2 |
RMSD bond length | 0.013 |
RMSD bond angle | 0.815 |
Data reduction software | XDS (September 26, 2012) |
Data scaling software | XDS (September 26, 2012) |
Phasing software | PHASER (7.0.078) |
Refinement software | REFMAC (7.0.078) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.300 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.046 | 0.256 |
Rmeas | 0.055 | 0.361 |
Rpim | 0.030 | 0.256 |
Number of reflections | 63674 | 1262 |
<I/σ(I)> | 22.8 | |
Completeness [%] | 90.2 | 57.8 |
Redundancy | 3.9 | 1.9 |
CC(1/2) | 0.998 | 0.853 |
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, 0.15M sodium acetate, 5 mM MnCl2, 12.5% DMSO, 5mM DTT |