2FHH
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with a peptidyl boronate inhibitor MLN-273
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2005-02-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 173.957, 116.172, 200.203 |
| Unit cell angles | 90.00, 112.71, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.990 |
| R-factor | 0.22814 |
| Rwork | 0.226 |
| R-free | 0.26163 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q5q |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.298 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Rmerge | 0.058 | 0.250 |
| Number of reflections | 139848 | |
| <I/σ(I)> | 18.6 | 2.6 |
| Completeness [%] | 0.9 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 8% PEG 6000, 50 mM sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
