7UYD
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 | 2014-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1. |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.652, 78.957, 67.764 |
| Unit cell angles | 90.00, 130.52, 90.00 |
Refinement procedure
| Resolution | 14.640 - 1.000 |
| R-factor | 0.1479 |
| Rwork | 0.147 |
| R-free | 0.16050 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.500 | 55.500 | 1.070 |
| High resolution limit [Å] | 1.000 | 2.820 | 1.000 |
| Rmerge | 0.049 | 0.035 | 0.361 |
| Rmeas | 0.058 | 0.042 | 0.438 |
| Rpim | 0.031 | 0.022 | 0.246 |
| Total number of observations | 701529 | 31980 | 109969 |
| Number of reflections | 217945 | 9847 | 38036 |
| <I/σ(I)> | 15.2 | 42.6 | 3.1 |
| Completeness [%] | 98.0 | 98.7 | 94.6 |
| Redundancy | 3.2 | 3.2 | 2.9 |
| CC(1/2) | 0.998 | 0.997 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 291 | 0.3 M Ammonium acetate 0.1 M Tris hydrochloride pH 7.6 25.0 w/v polyethylene glycol 3350 |
