5RP6
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C2a
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 | 2019-03-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 68.080, 68.080, 102.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.190 - 1.170 |
| R-factor | 0.1552 |
| Rwork | 0.155 |
| R-free | 0.16460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.826 |
| 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] | 29.190 | 29.190 | 1.190 |
| High resolution limit [Å] | 1.170 | 6.400 | 1.170 |
| Rmerge | 0.020 | 0.010 | 0.211 |
| Rmeas | 0.028 | 0.014 | 0.299 |
| Rpim | 0.020 | 0.010 | 0.211 |
| Total number of observations | 156027 | 960 | 7314 |
| Number of reflections | 82109 | 609 | 3801 |
| <I/σ(I)> | 17.1 | 42.9 | 3.5 |
| Completeness [%] | 99.7 | 99.1 | 95.6 |
| Redundancy | 1.9 | 1.6 | 1.9 |
| CC(1/2) | 1.000 | 1.000 | 0.870 |
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 |
