5QOK
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000294a
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 | 2016-12-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.160, 61.090, 65.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.790 - 2.280 |
| R-factor | 0.2056 |
| Rwork | 0.203 |
| R-free | 0.27060 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5mp0 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.601 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.820 | 37.820 | 2.340 |
| High resolution limit [Å] | 2.280 | 10.200 | 2.280 |
| Rmerge | 0.177 | 0.047 | 0.812 |
| Rmeas | 0.192 | 0.052 | 0.886 |
| Rpim | 0.075 | 0.022 | 0.350 |
| Total number of observations | 59810 | 697 | 4132 |
| Number of reflections | 9314 | ||
| <I/σ(I)> | 8.8 | 26.9 | 2.4 |
| Completeness [%] | 99.9 | 98.6 | 99.7 |
| Redundancy | 6.4 | 5.4 | 6.3 |
| CC(1/2) | 0.995 | 0.998 | 0.786 |
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 |
