5Q22
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000728a
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 | 2017-04-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.123, 57.114, 115.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.120 - 1.180 |
| R-factor | 0.1787 |
| Rwork | 0.177 |
| R-free | 0.20450 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.473 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.120 | 57.120 | 1.210 |
| High resolution limit [Å] | 1.180 | 5.280 | 1.180 |
| Rmerge | 0.050 | 0.035 | 0.900 |
| Rmeas | 0.054 | 0.039 | 1.098 |
| Rpim | 0.022 | 0.016 | 0.609 |
| Total number of observations | 596075 | 8503 | 18296 |
| Number of reflections | 110721 | ||
| <I/σ(I)> | 11.5 | 40.2 | 1 |
| Completeness [%] | 97.4 | 99.8 | 76.6 |
| Redundancy | 5.4 | 5.9 | 2.9 |
| CC(1/2) | 0.999 | 0.998 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
