2O3E
Crystal structure of engineered neurolysin with thimet oligopeptidase specificity for 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) | 0.997 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 159.550, 87.700, 58.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.850 - 2.200 |
Rwork | 0.219 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i1i |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
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] | 43.850 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.088 | 0.412 |
Number of reflections | 42607 | |
<I/σ(I)> | 12.2 | |
Completeness [%] | 98.7 | 99.6 |
Redundancy | 4.3 | 4.2 |
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 |