2O36
Crystal structure of engineered thimet oligopeptidase with neurolysin specificity in neurotensin cleavage site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | .9997 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.120, 99.250, 105.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.720 - 1.950 |
| Rwork | 0.202 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s4b |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.075 | 0.299 |
| Number of reflections | 59434 | |
| <I/σ(I)> | 11 | |
| Completeness [%] | 98.2 | 90.5 |
| Redundancy | 4.8 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
