5Q1U
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000351a
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 | 52.073, 57.389, 115.328 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.830 - 1.500 |
| R-factor | 0.1507 |
| Rwork | 0.149 |
| R-free | 0.18610 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.480 |
| 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] | 28.830 | 28.830 | 1.540 |
| High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
| Rmerge | 0.052 | 0.024 | 0.771 |
| Rmeas | 0.057 | 0.026 | 0.840 |
| Rpim | 0.022 | 0.010 | 0.329 |
| Total number of observations | 368922 | 4361 | 26054 |
| Number of reflections | 56202 | ||
| <I/σ(I)> | 18.3 | 61.7 | 2.3 |
| Completeness [%] | 99.9 | 98.7 | 99.3 |
| Redundancy | 6.6 | 6 | 6.4 |
| CC(1/2) | 0.999 | 0.999 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
