4EU2
Crystal structure of 20s proteasome with novel inhibitor K-7174
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-17 |
| Detector | MAR225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 134.264, 301.363, 143.964 |
| Unit cell angles | 90.00, 112.86, 90.00 |
Refinement procedure
| Resolution | 45.701 - 2.509 |
| R-factor | 0.2046 |
| Rwork | 0.202 |
| R-free | 0.25470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.178 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.101 | 0.044 | 0.280 |
| Number of reflections | 313772 | ||
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 88.5 | 98.9 | 72.3 |
| Redundancy | 3.3 | 4.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 4.5% (v/v) 2-methyl1-2,4-pentanediol(MPD), 36mM magnesium acetate, 90mM MES pH7.2, 10%(v/v) DMSO, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
