5Q28
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000186a
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 | 2017-04-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.850, 57.087, 115.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.510 - 1.520 |
| R-factor | 0.1802 |
| Rwork | 0.177 |
| R-free | 0.23900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.451 |
| 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] | 57.510 | 57.510 | 1.560 |
| High resolution limit [Å] | 1.520 | 6.800 | 1.520 |
| Rmerge | 0.106 | 0.061 | 1.577 |
| Rmeas | 0.115 | 0.066 | 1.715 |
| Rpim | 0.045 | 0.025 | 0.667 |
| Total number of observations | 343517 | 4316 | 25502 |
| Number of reflections | 53305 | ||
| <I/σ(I)> | 7.4 | 19.5 | 1.2 |
| Completeness [%] | 99.8 | 100 | 99.4 |
| Redundancy | 6.4 | 6.1 | 6.6 |
| CC(1/2) | 0.997 | 0.997 | 0.304 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
