7SSB
Co-structure of PKG1 regulatory domain with compound 33
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 | 2018-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.394, 80.656, 63.222 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.200 - 1.400 |
| R-factor | 0.211 |
| Rwork | 0.210 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jax |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.200 | 28.200 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
| Rmerge | 0.170 | 0.098 | 0.285 |
| Rmeas | 0.199 | 0.115 | 0.375 |
| Rpim | 0.101 | 0.059 | 0.240 |
| Total number of observations | 76078 | 559 | 2748 |
| Number of reflections | 27749 | 158 | 1351 |
| <I/σ(I)> | 4 | 6.5 | 1.5 |
| Completeness [%] | 97.0 | 78.2 | 97.4 |
| Redundancy | 2.7 | 3.5 | 2 |
| CC(1/2) | 0.977 | 0.972 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 295 | 0.1 M Tris 8.5 20 % v/v Glycerol ethoxylate, 3 % v/v Polyethyleneimine |
