5Q20
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000524a
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 | 51.899, 56.799, 115.031 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.820 - 1.760 |
| R-factor | 0.2078 |
| Rwork | 0.206 |
| R-free | 0.24720 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.429 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.760 | 7.870 | 1.760 |
| Rmerge | 0.111 | 0.030 | 1.455 |
| Rmeas | 0.121 | 0.033 | 1.592 |
| Rpim | 0.048 | 0.013 | 0.640 |
| Total number of observations | 218723 | 2809 | 15140 |
| Number of reflections | 34543 | ||
| <I/σ(I)> | 8.5 | 30.7 | 1.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.3 | 6 | 6 |
| CC(1/2) | 0.998 | 0.999 | 0.489 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
