7UYB
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 | 2013-12-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1. |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.601, 67.812, 40.177 |
| Unit cell angles | 90.00, 91.61, 90.00 |
Refinement procedure
| Resolution | 16.250 - 1.110 |
| R-factor | 0.156 |
| Rwork | 0.155 |
| R-free | 0.16580 |
| 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 (2.11.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.160 | 40.160 | 1.150 |
| High resolution limit [Å] | 1.110 | 3.990 | 1.110 |
| Rmerge | 0.041 | 0.025 | 0.518 |
| Rmeas | 0.049 | 0.029 | 0.624 |
| Rpim | 0.027 | 0.016 | 0.342 |
| Total number of observations | 274006 | 6245 | 30171 |
| Number of reflections | 84274 | 1828 | 9520 |
| <I/σ(I)> | 15.8 | 58.6 | 2.2 |
| Completeness [%] | 99.8 | 98.4 | 99.9 |
| Redundancy | 3.3 | 3.4 | 3.2 |
| CC(1/2) | 0.999 | 0.999 | 0.726 |
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 |
