5R4P
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with NM450-1
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, 214.530 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.740 - 1.780 |
| R-factor | 0.2089 |
| Rwork | 0.207 |
| R-free | 0.24510 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3bap |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.509 |
| 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] | 51.680 | 51.680 | 1.830 |
| High resolution limit [Å] | 1.780 | 7.960 | 1.780 |
| Rmerge | 0.128 | 0.028 | 2.356 |
| Rmeas | 0.135 | 0.030 | 2.480 |
| Rpim | 0.043 | 0.010 | 0.769 |
| Total number of observations | 421169 | 5189 | 32180 |
| Number of reflections | 43715 | ||
| <I/σ(I)> | 12.4 | 51.3 | 1.1 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 9.6 | 8.6 | 10.2 |
| CC(1/2) | 0.999 | 0.999 | 0.635 |
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 |
