5C67
Human Mesotrypsin in complex with amyloid precursor protein inhibitor variant APPI-M17G/I18F/F34V
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-01-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 78.150, 78.150, 243.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.830 |
R-factor | 0.22382 |
Rwork | 0.223 |
R-free | 0.26679 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l33 |
RMSD bond length | 0.021 |
RMSD bond angle | 2.008 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.600 | 20.000 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.076 | 0.796 |
Number of reflections | 66627 | |
<I/σ(I)> | 16.5 | 3.1 |
Completeness [%] | 96.7 | 91.1 |
Redundancy | 6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M ammonium sulfate, 0.1 M Tris pH 7.5, and 20% PEG-1000 |