5QOO
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000144a
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 | 2017-03-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.730, 61.320, 65.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.870 - 1.560 |
| R-factor | 0.2046 |
| Rwork | 0.202 |
| R-free | 0.25210 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5mp0 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.180 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.730 | 48.730 | 1.600 |
| High resolution limit [Å] | 1.560 | 6.980 | 1.560 |
| Rmerge | 0.038 | 0.018 | 1.546 |
| Rmeas | 0.042 | 0.021 | 1.677 |
| Rpim | 0.017 | 0.009 | 0.644 |
| Total number of observations | 181138 | 2171 | 13927 |
| Number of reflections | 28648 | ||
| <I/σ(I)> | 20.2 | 69.3 | 1.3 |
| Completeness [%] | 99.5 | 99.3 | 99.4 |
| Redundancy | 6.3 | 5.7 | 6.7 |
| CC(1/2) | 1.000 | 1.000 | 0.667 |
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 |
