5QOP
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with NUOOA000023a
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 | 2017-05-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.213, 61.097, 65.856 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.830 - 1.860 |
| R-factor | 0.2009 |
| Rwork | 0.199 |
| R-free | 0.24730 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5mp0 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.965 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.990 | 28.990 | 1.910 |
| High resolution limit [Å] | 1.860 | 8.330 | 1.860 |
| Rmerge | 0.065 | 0.017 | 0.777 |
| Rmeas | 0.071 | 0.018 | 0.839 |
| Rpim | 0.027 | 0.007 | 0.314 |
| Total number of observations | 111998 | 1306 | 8448 |
| Number of reflections | 16831 | ||
| <I/σ(I)> | 18.6 | 75.9 | 2.5 |
| Completeness [%] | 98.0 | 96.1 | 95.9 |
| Redundancy | 6.7 | 5.9 | 7 |
| CC(1/2) | 0.999 | 1.000 | 0.839 |
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 |
