5DMP
Structure of the Archaeal NHEJ Phosphoesterase from Methanocella paludicola.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-27 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 57.070, 57.070, 105.041 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.420 - 1.793 |
| R-factor | 0.1759 |
| Rwork | 0.174 |
| R-free | 0.20450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n9b |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.070 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.424 | 44.721 | 1.890 |
| High resolution limit [Å] | 1.793 | 5.670 | 1.790 |
| Rmerge | 0.022 | 0.450 | |
| Rmeas | 0.056 | ||
| Rpim | 0.025 | 0.012 | 0.224 |
| Total number of observations | 95174 | 2236 | 13600 |
| Number of reflections | 18976 | ||
| <I/σ(I)> | 16.4 | 31.3 | 3.2 |
| Completeness [%] | 98.9 | 76.4 | 99.9 |
| Redundancy | 5 | 4.2 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | 200 mM magnesium sulfate, 20% (w/v) PEG 3350 |
