5R4S
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-45
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 58.910, 58.910, 212.330 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.070 - 1.610 |
| R-factor | 0.2107 |
| Rwork | 0.209 |
| R-free | 0.24810 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3bap |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.692 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.020 | 51.020 | 1.650 |
| High resolution limit [Å] | 1.610 | 7.200 | 1.610 |
| Rmerge | 0.082 | 0.054 | 2.060 |
| Rmeas | 0.086 | 0.058 | 2.174 |
| Rpim | 0.028 | 0.020 | 0.690 |
| Total number of observations | 552222 | 6541 | 40392 |
| Number of reflections | 56721 | ||
| <I/σ(I)> | 12.4 | 33.3 | 1.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 9.7 | 8.5 | 9.8 |
| CC(1/2) | 0.998 | 0.995 | 0.572 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 277 | 0.1M acetate pH 5.1, 0.0025M ZnAC, 6% PEG3K |
