5Q4N
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 88)
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 | 2016-09-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.930, 57.940, 114.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.690 - 1.710 |
| R-factor | 0.2712 |
| Rwork | 0.269 |
| R-free | 0.32390 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.645 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 23.690 | 23.690 | 1.750 |
| High resolution limit [Å] | 1.710 | 7.650 | 1.710 |
| Rmerge | 0.086 | 0.023 | 1.882 |
| Rmeas | 0.093 | 0.025 | 2.054 |
| Rpim | 0.036 | 0.010 | 0.812 |
| Total number of observations | 248860 | 3004 | 17262 |
| Number of reflections | 38197 | ||
| <I/σ(I)> | 13.3 | 59.2 | 1 |
| Completeness [%] | 99.9 | 96.9 | 99.8 |
| Redundancy | 6.5 | 6.1 | 6.2 |
| CC(1/2) | 0.999 | 0.999 | 0.578 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG 1000, 0.1M MIB buffer |
