7AL8
Structure of ATSI with bovine trypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-24 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.289, 92.588, 108.545 |
| Unit cell angles | 90.04, 89.86, 90.03 |
Refinement procedure
| Resolution | 46.840 - 2.850 |
| R-factor | 0.2772 |
| Rwork | 0.274 |
| R-free | 0.33050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aq7 |
| Data reduction software | SCALA |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.840 | 2.990 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.111 | 0.470 |
| Rpim | 0.101 | 0.420 |
| Number of reflections | 50831 | 6984 |
| <I/σ(I)> | 4.4 | |
| Completeness [%] | 96.6 | |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 2M AmSO4, 0.1 M HEPES 7.5; 2% PEG400 |
