7UYC
Inhibitor bound VIM1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1. |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.507, 67.927, 40.165 |
| Unit cell angles | 90.00, 91.67, 90.00 |
Refinement procedure
| Resolution | 14.930 - 1.020 |
| R-factor | 0.1524 |
| Rwork | 0.152 |
| R-free | 0.16380 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.27) |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.930 | 67.930 | 1.100 |
| High resolution limit [Å] | 1.020 | 2.700 | 1.020 |
| Rmerge | 0.034 | 0.024 | 0.421 |
| Rmeas | 0.040 | 0.028 | 0.505 |
| Rpim | 0.021 | 0.015 | 0.274 |
| Total number of observations | 336299 | 18416 | 62495 |
| Number of reflections | 98240 | 5694 | 19167 |
| <I/σ(I)> | 21.8 | 64.5 | 2.9 |
| Completeness [%] | 91.8 | 96.8 | 87.1 |
| Redundancy | 3.4 | 3.2 | 3.3 |
| CC(1/2) | 0.999 | 0.999 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2 M Magnesium chloride 0.1 M Tris hydrochloride pH 8.5 30.0 w/v polyethylene glycol 4000 |
