5LPG
Structure of NUDT15 in complex with 6-thio-GMP
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 | 2015-10-31 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.502, 49.050, 135.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.000 - 1.700 |
| R-factor | 0.21795 |
| Rwork | 0.216 |
| R-free | 0.25063 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 5BON |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.419 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.087 | 0.680 |
| Number of reflections | 34988 | |
| <I/σ(I)> | 12.9 | 3.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 11.8 | 11.5 |
| CC(1/2) | 0.998 | 0.492 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | 30% PEG3350, 0.1M Tris pH 8.5, and 0.24M MgCl2 |
