5R4U
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-43
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 | 59.060, 59.060, 212.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.780 - 1.920 |
| R-factor | 0.2162 |
| Rwork | 0.214 |
| R-free | 0.26550 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3bap |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.538 |
| 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] | 49.730 | 49.730 | 1.970 |
| High resolution limit [Å] | 1.920 | 8.590 | 1.920 |
| Rmerge | 0.189 | 0.058 | 7.380 |
| Rmeas | 0.200 | 0.063 | 7.857 |
| Rpim | 0.067 | 0.022 | 2.648 |
| Total number of observations | 310501 | 3784 | 20944 |
| Number of reflections | 33630 | ||
| <I/σ(I)> | 10.3 | 33.4 | 0.6 |
| Completeness [%] | 98.8 | 99.3 | 95.2 |
| Redundancy | 9.2 | 8.2 | 8.8 |
| CC(1/2) | 0.995 | 0.997 | 0.395 |
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 |
