5Q1Z
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000150a
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 | 52.098, 56.829, 115.157 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.820 - 1.410 |
| R-factor | 0.1757 |
| Rwork | 0.173 |
| R-free | 0.22050 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.343 |
| 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] | 56.820 | 56.820 | 1.450 |
| High resolution limit [Å] | 1.410 | 6.310 | 1.410 |
| Rmerge | 0.095 | 0.073 | 1.537 |
| Rmeas | 0.104 | 0.079 | 1.709 |
| Rpim | 0.041 | 0.032 | 0.741 |
| Total number of observations | 415738 | 5231 | 25839 |
| Number of reflections | 66787 | ||
| <I/σ(I)> | 8.3 | 21 | 1.3 |
| Completeness [%] | 100.0 | 99.9 | 99.9 |
| Redundancy | 6.2 | 6 | 5.3 |
| CC(1/2) | 0.996 | 0.992 | 0.532 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
