5R4T
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with SK-430
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 | 2018-02-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 59.010, 59.010, 212.964 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.990 - 1.680 |
| R-factor | 0.2157 |
| Rwork | 0.213 |
| R-free | 0.25920 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3bap |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.628 |
| 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] | 70.990 | 70.990 | 1.780 |
| High resolution limit [Å] | 1.680 | 5.330 | 1.680 |
| Rmerge | 0.077 | 0.036 | 2.822 |
| Rmeas | 0.081 | 0.038 | 3.007 |
| Rpim | 0.026 | 0.013 | 1.026 |
| Total number of observations | 478631 | 15379 | 60957 |
| Number of reflections | 49996 | ||
| <I/σ(I)> | 13.2 | 48 | 0.6 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 9.6 | 8.6 | 8.5 |
| CC(1/2) | 0.999 | 0.999 | 0.486 |
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 |
