5RPE
PanDDA analysis group deposition -- Proteinase K crystal structure Apo40
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 | 68.011, 68.011, 102.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.090 - 1.020 |
| R-factor | 0.1591 |
| Rwork | 0.159 |
| R-free | 0.16570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.819 |
| Data reduction software | DIALS (3.1.2) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.19.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.140 | 51.140 | 1.040 |
| High resolution limit [Å] | 1.020 | 5.590 | 1.020 |
| Rmerge | 0.026 | 0.011 | 0.497 |
| Rmeas | 0.037 | 0.015 | 0.703 |
| Rpim | 0.026 | 0.011 | 0.497 |
| Total number of observations | 197769 | 1439 | 1576 |
| Number of reflections | 104707 | 897 | 1269 |
| <I/σ(I)> | 13.8 | 27.5 | 1.3 |
| Completeness [%] | 85.8 | 99.9 | 21.7 |
| Redundancy | 1.9 | 1.6 | 1.2 |
| CC(1/2) | 0.999 | 0.999 | 0.553 |
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 |
