5ROU
PanDDA analysis group deposition -- Proteinase K crystal structure Apo72
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 68.240, 68.240, 102.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.250 - 1.060 |
| R-factor | 0.1734 |
| Rwork | 0.173 |
| R-free | 0.17840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.811 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.880 | 56.880 | 1.080 |
| High resolution limit [Å] | 1.060 | 5.800 | 1.060 |
| Total number of observations | 102599 | 807 | 1278 |
| Number of reflections | 102599 | 807 | 1278 |
| <I/σ(I)> | 10.8 | 33.6 | 1.2 |
| Completeness [%] | 92.5 | 99.9 | 23.9 |
| Redundancy | 1 | 1 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 290 | 1.2M ammonium sulfate, 0.1M Tris-HCl, pH 8.0 |
