5R4R
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-42
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 | 59.090, 59.090, 212.840 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.950 - 1.500 |
| R-factor | 0.2114 |
| Rwork | 0.210 |
| R-free | 0.24200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3bap |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.754 |
| 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] | 70.950 | 70.950 | 1.540 |
| High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
| Rmerge | 0.066 | 0.049 | 1.731 |
| Rmeas | 0.069 | 0.052 | 1.847 |
| Rpim | 0.022 | 0.017 | 0.641 |
| Total number of observations | 669620 | 8031 | 42052 |
| Number of reflections | 70428 | ||
| <I/σ(I)> | 14.6 | 40.5 | 1.2 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 9.5 | 8.5 | 8.2 |
| CC(1/2) | 0.999 | 0.998 | 0.528 |
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 |
