5Q1N
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000295a
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 | 52.153, 56.974, 115.081 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.970 - 1.380 |
| R-factor | 0.2029 |
| Rwork | 0.201 |
| R-free | 0.24310 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.369 |
| 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] | 56.970 | 56.970 | 1.420 |
| High resolution limit [Å] | 1.380 | 6.170 | 1.380 |
| Rmerge | 0.111 | 0.062 | 1.270 |
| Rmeas | 0.121 | 0.068 | 1.417 |
| Rpim | 0.048 | 0.027 | 0.621 |
| Total number of observations | 444854 | 5643 | 26816 |
| Number of reflections | 71330 | ||
| <I/σ(I)> | 7.2 | 20.9 | 1.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.2 | 6 | 5.1 |
| CC(1/2) | 0.997 | 0.997 | 0.533 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
