2OZ5
Crystal structure of Mycobacterium tuberculosis protein tyrosine phosphatase PtpB in complex with the specific inhibitor OMTS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1159 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.396, 72.488, 96.064 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.511 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.034 | 0.021 | 0.090 |
| Number of reflections | 34740 | ||
| <I/σ(I)> | 16.5 | ||
| Completeness [%] | 97.1 | 100 | 80.8 |
| Redundancy | 3.6 | 4 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.1M Ammonium acetate, 0.1M Bis-Tris pH5.5 17% PEG 10,000 0.5% beta-octylgucoside, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
