5Q1O
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000478a
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 | 51.947, 57.156, 115.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.760 - 1.250 |
| R-factor | 0.1485 |
| Rwork | 0.147 |
| R-free | 0.17060 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.512 |
| 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] | 28.760 | 28.760 | 1.280 |
| High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
| Rmerge | 0.045 | 0.034 | 0.655 |
| Rmeas | 0.050 | 0.038 | 0.758 |
| Rpim | 0.020 | 0.015 | 0.370 |
| Total number of observations | 555107 | 7132 | 26664 |
| Number of reflections | 94780 | ||
| <I/σ(I)> | 17.3 | 50.4 | 1.8 |
| Completeness [%] | 99.4 | 99.1 | 95.8 |
| Redundancy | 5.9 | 5.9 | 4 |
| CC(1/2) | 0.999 | 0.998 | 0.703 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
