5QPA
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000449a
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 | 48.640, 60.490, 65.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.560 - 1.610 |
| R-factor | 0.2097 |
| Rwork | 0.207 |
| R-free | 0.25600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5mp0 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.928 |
| 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] | 24.320 | 24.320 | 1.650 |
| High resolution limit [Å] | 1.610 | 7.200 | 1.610 |
| Rmerge | 0.036 | 0.034 | 1.186 |
| Rmeas | 0.039 | 0.038 | 1.322 |
| Rpim | 0.016 | 0.017 | 0.579 |
| Total number of observations | 155936 | 1830 | 9633 |
| Number of reflections | 25556 | ||
| <I/σ(I)> | 20.2 | 56.5 | 1.2 |
| Completeness [%] | 99.0 | 97.6 | 99 |
| Redundancy | 6.1 | 5.4 | 5.2 |
| CC(1/2) | 0.999 | 0.998 | 0.724 |
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 |
