3M91
Crystal structure of the prokaryotic ubiquitin-like protein (Pup) complexed with the amino terminal coiled coil of the Mycobacterium tuberculosis proteasomal ATPase Mpa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.752, 28.093, 96.233 |
| Unit cell angles | 90.00, 103.43, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.027 |
| RMSD bond angle | 1.992 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.062 | 0.560 |
| Number of reflections | 19540 | |
| Completeness [%] | 88.5 | 45 |
| Redundancy | 6.9 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 293 | 0.1M sodium acetate 16% 1,4-dioxane, 250mM sodium chloride, 2mM magnesium chloride with protease inhibitor, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
