3H6F
Crystal Structure of Mycobacterium Tuberculosis Proteasome Modified by inhibitor HT1171
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 | 2008-06-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 171.984, 118.043, 197.055 |
| Unit cell angles | 90.00, 113.62, 90.00 |
Refinement procedure
| Resolution | 29.830 - 2.510 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fhg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 2.590 |
| High resolution limit [Å] | 2.510 | 2.500 |
| Rmerge | 0.120 | 0.375 |
| Number of reflections | 235346 | |
| <I/σ(I)> | 13.1 | 2.4 |
| Completeness [%] | 94.9 | 84.3 |
| Redundancy | 4.3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 277 | 12% PEG 6000, 60 mM sodium citrate, pH 5.8, 0.1M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
