5QOL
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000435a
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 | 48.270, 60.970, 65.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.740 - 1.850 |
| R-factor | 0.1864 |
| Rwork | 0.184 |
| R-free | 0.23270 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5mp0 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.943 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.700 | 44.700 | 1.900 |
| High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
| Rmerge | 0.070 | 0.024 | 0.915 |
| Rmeas | 0.076 | 0.026 | 0.991 |
| Rpim | 0.030 | 0.011 | 0.378 |
| Total number of observations | 111533 | 1351 | 8367 |
| Number of reflections | 17148 | ||
| <I/σ(I)> | 15.2 | 49.8 | 2.1 |
| Completeness [%] | 99.9 | 99.7 | 100 |
| Redundancy | 6.5 | 5.7 | 6.8 |
| CC(1/2) | 0.999 | 1.000 | 0.749 |
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 |
