5Q1V
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000166a
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 | 52.220, 57.126, 115.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.790 - 1.570 |
| R-factor | 0.1503 |
| Rwork | 0.148 |
| R-free | 0.19240 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.446 |
| 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] | 28.790 | 28.790 | 1.610 |
| High resolution limit [Å] | 1.570 | 7.020 | 1.570 |
| Rmerge | 0.045 | 0.023 | 0.750 |
| Rmeas | 0.049 | 0.025 | 0.814 |
| Rpim | 0.019 | 0.010 | 0.313 |
| Total number of observations | 320762 | 3846 | 23495 |
| Number of reflections | 48938 | ||
| <I/σ(I)> | 22.5 | 75.7 | 2.5 |
| Completeness [%] | 99.9 | 98.5 | 98.8 |
| Redundancy | 6.6 | 6.1 | 6.6 |
| CC(1/2) | 1.000 | 1.000 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
