3KRD
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with Fellutamide B
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 |
| Collection date | 2008-08-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 170.186, 118.099, 194.347 |
| Unit cell angles | 90.00, 112.62, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.500 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.088 | 0.499 |
| Number of reflections | 240453 | |
| <I/σ(I)> | 9.8 | 2.6 |
| Completeness [%] | 99.4 | 98.1 |
| Redundancy | 4.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 277 | 12% PEG 6000, 60 mM sodium citrate, 0.1M NaCl, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
