5QP2
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1170065264
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Detector technology | PIXEL |
| Collection date | 2017-07-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.811, 60.694, 65.267 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.490 - 1.830 |
| R-factor | 0.1956 |
| Rwork | 0.193 |
| R-free | 0.25010 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5mp0 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.870 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.740 | 28.740 | 1.880 |
| High resolution limit [Å] | 1.830 | 8.190 | 1.830 |
| Rmerge | 0.039 | 0.014 | 0.824 |
| Rmeas | 0.042 | 0.016 | 0.894 |
| Rpim | 0.017 | 0.007 | 0.341 |
| Total number of observations | 111592 | 1262 | 8181 |
| Number of reflections | 17302 | ||
| <I/σ(I)> | 22.9 | 75.9 | 2.5 |
| Completeness [%] | 99.8 | 97.5 | 98.9 |
| Redundancy | 6.4 | 5.5 | 6.6 |
| CC(1/2) | 1.000 | 1.000 | 0.916 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 0.1 M acetate, pH 4.5, 5-25% PEG3350 |
