6TSN
Marasmius oreades agglutinin (MOA), papain back.swap W208Q-Q276W variant
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 121.615, 121.615, 100.032 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.600 - 1.600 |
Rwork | 0.185 |
R-free | 0.20910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ef2 |
RMSD bond length | 0.013 |
RMSD bond angle | 0.960 |
Data reduction software | XDS (22-Sep-2015) |
Data scaling software | XDS (22-Sep-2015) |
Phasing software | REFMAC (7.0.078) |
Refinement software | REFMAC (7.0.078) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.600 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.127 | 1.749 |
Rmeas | 0.145 | 2.359 |
Rpim | 0.051 | 1.572 |
Number of reflections | 104686 | 2154 |
<I/σ(I)> | 14.1 | |
Completeness [%] | 94.8 | 77.6 |
Redundancy | 3.9 | 2.9 |
CC(1/2) | 0.998 | 0.265 |
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, 14% PEG 8000, 0.2 M calcium acetate, 10% DMSO, 5 mM DTT |