5QON
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000446a
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 | 2016-12-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.294, 61.259, 65.908 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.870 - 1.800 |
| R-factor | 0.1976 |
| Rwork | 0.195 |
| R-free | 0.25210 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5mp0 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.996 |
| 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] | 29.020 | 29.020 | 1.850 |
| High resolution limit [Å] | 1.800 | 8.040 | 1.800 |
| Rmerge | 0.067 | 0.025 | 0.835 |
| Rmeas | 0.073 | 0.027 | 0.908 |
| Rpim | 0.028 | 0.011 | 0.352 |
| Total number of observations | 121347 | 1455 | 8419 |
| Number of reflections | 18410 | ||
| <I/σ(I)> | 17.6 | 55.5 | 2.3 |
| Completeness [%] | 98.4 | 97.1 | 95.7 |
| Redundancy | 6.6 | 5.8 | 6.5 |
| CC(1/2) | 0.999 | 1.000 | 0.811 |
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 |
