5ROK
PanDDA analysis group deposition -- Proteinase K crystal structure Apo37
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 | 68.010, 68.010, 102.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.620 - 1.040 |
| R-factor | 0.1546 |
| Rwork | 0.154 |
| R-free | 0.15880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.815 |
| 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] | 56.620 | 56.620 | 1.060 |
| High resolution limit [Å] | 1.040 | 5.710 | 1.040 |
| Total number of observations | 104576 | 825 | 2874 |
| Number of reflections | 104576 | 825 | 2874 |
| <I/σ(I)> | 15.4 | 34.9 | 2.2 |
| Completeness [%] | 91.6 | 100 | 52.1 |
| 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 |
