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 |