5Q1L
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000073a
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 | 52.360, 57.450, 114.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.430 - 1.760 |
| R-factor | 0.2088 |
| Rwork | 0.207 |
| R-free | 0.24130 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.302 |
| 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] | 57.430 | 57.430 | 1.810 |
| High resolution limit [Å] | 1.760 | 7.870 | 1.760 |
| Rmerge | 0.103 | 0.036 | 1.652 |
| Rmeas | 0.112 | 0.039 | 1.800 |
| Rpim | 0.044 | 0.016 | 0.708 |
| Total number of observations | 229820 | 2767 | 16374 |
| Number of reflections | 35161 | ||
| <I/σ(I)> | 12 | 41.2 | 1.2 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.5 | 5.8 | 6.4 |
| CC(1/2) | 0.998 | 0.998 | 0.452 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
