7S26
ROCK1 IN COMPLEX WITH LIGAND G5018
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-24 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.000045 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.141, 101.596, 182.663 |
| Unit cell angles | 90.00, 91.98, 90.00 |
Refinement procedure
| Resolution | 49.180 - 2.744 |
| R-factor | 0.2472 |
| Rwork | 0.247 |
| R-free | 0.26850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.8 (16-JUL-2021)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 88.770 | 88.770 | 2.890 |
| High resolution limit [Å] | 2.740 | 8.680 | 2.740 |
| Rmerge | 0.053 | 0.044 | 0.763 |
| Rmeas | 0.060 | 0.050 | 0.872 |
| Rpim | 0.028 | 0.023 | 0.418 |
| Total number of observations | 237848 | 7786 | 32847 |
| Number of reflections | 54767 | 1805 | 7944 |
| <I/σ(I)> | 14.4 | 34.1 | 1.7 |
| Completeness [%] | 99.9 | 99.3 | 99.9 |
| Redundancy | 4.3 | 4.3 | 4.1 |
| CC(1/2) | 0.998 | 0.997 | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 15-17% PEG 5K MME, 0.1 M HEPES/NaOH pH 7.5, 5% (v/v) tacsimate pH 7.5 |
