5Q1S
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with BDOOA011525c
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 | 52.353, 57.401, 115.294 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.400 - 1.620 |
| R-factor | 0.21 |
| Rwork | 0.209 |
| R-free | 0.23860 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.372 |
| 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] | 57.400 | 57.400 | 1.710 |
| High resolution limit [Å] | 1.620 | 5.120 | 1.620 |
| Rmerge | 0.066 | 0.035 | 0.747 |
| Rmeas | 0.072 | 0.039 | 0.812 |
| Rpim | 0.028 | 0.016 | 0.314 |
| Total number of observations | 290189 | 9186 | 42855 |
| Number of reflections | 44648 | ||
| <I/σ(I)> | 15.9 | 42.8 | 2.4 |
| Completeness [%] | 99.0 | 99.8 | 100 |
| Redundancy | 6.5 | 5.8 | 6.6 |
| CC(1/2) | 0.999 | 0.998 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 30% PEG1000, 0.1 M MIB buffer |
