5R4Q
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with NM466-1
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 | 2017-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 59.680, 59.680, 214.430 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 71.480 - 1.490 |
| R-factor | 0.2193 |
| Rwork | 0.218 |
| R-free | 0.25010 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3bap |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.840 |
| 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] | 71.480 | 71.480 | 1.530 |
| High resolution limit [Å] | 1.490 | 6.660 | 1.490 |
| Rmerge | 0.053 | 0.048 | 1.763 |
| Rmeas | 0.056 | 0.051 | 1.884 |
| Rpim | 0.018 | 0.017 | 0.658 |
| Total number of observations | 706964 | 8385 | 43877 |
| Number of reflections | 73717 | ||
| <I/σ(I)> | 17.9 | 51.3 | 1.1 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 9.6 | 8.6 | 8.2 |
| CC(1/2) | 0.999 | 0.998 | 0.574 |
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 |
