5LW6
Crystal structure of a Se-Met substituted Dictyostelium discoideum ADP-ribose binding macrodomain (residues 342-563) of DDB_G0293866
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.590, 71.220, 81.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.190 - 1.800 |
R-factor | 0.17205 |
Rwork | 0.170 |
R-free | 0.21433 |
Structure solution method | SAD |
RMSD bond length | 0.020 |
RMSD bond angle | 1.898 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.190 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 22050 | |
<I/σ(I)> | 17.3 | 5.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 25.8 | 25.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | Crystallization trials were performed with proteins at 25 mg/ml in buffer containing 150 mM NaCl, 1 mM DTT and 25 mM Tris-HCl (pH 7.5), at 20 C with commercial screens using the sitting-drop vapour-diffusion method. Crystallization drops were set up with the aid of a Mosquito Crystal robot (TTP Labtech) using 200 nl of protein solution plus 200 nl of reservoir solution in MRC two-well crystallization microplates (Swissci) equilibrated against 75 microl of reservoir solution. Co-crystallisation trials were set up by adding 2 mM ADPr to the protein for at least 1 hour prior to setting up crystallisation drops. Crystals of the macrodomain proteins grew in 0.2 M Lithium sulphate, 0.1 M phosphate/citrate and 20% (w/v) PEG1000 |