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 |