7UYA
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 | 2013-06-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1. |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.530, 67.565, 40.102 |
| Unit cell angles | 90.00, 91.66, 90.00 |
Refinement procedure
| Resolution | 14.790 - 1.010 |
| R-factor | 0.1664 |
| Rwork | 0.166 |
| R-free | 0.17860 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.120 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.27) |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.570 | 67.570 | 1.040 |
| High resolution limit [Å] | 1.010 | 4.040 | 1.010 |
| Rmerge | 0.045 | 0.047 | 0.508 |
| Rmeas | 0.054 | 0.057 | 0.612 |
| Rpim | 0.029 | 0.031 | 0.338 |
| Total number of observations | 344796 | 5589 | 27977 |
| Number of reflections | 104663 | 1687 | 9151 |
| <I/σ(I)> | 16.1 | 40.4 | 2 |
| Completeness [%] | 94.9 | 95.1 | 90.1 |
| Redundancy | 3.3 | 3.3 | 3.1 |
| CC(1/2) | 0.996 | 0.985 | 0.735 |
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 |
