9Q9T
Human ROCK2 in complex with a dihydropyrazolo-pyrimidine inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00035619736 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.012, 133.552, 93.384 |
| Unit cell angles | 90.00, 109.70, 90.00 |
Refinement procedure
| Resolution | 97.640 - 2.960 |
| R-factor | 0.19794 |
| Rwork | 0.197 |
| R-free | 0.23794 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.514 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.640 | 3.210 |
| High resolution limit [Å] | 2.960 | 2.960 |
| Rmerge | 0.056 | 0.432 |
| Number of reflections | 35034 | 7645 |
| <I/σ(I)> | 14.77 | |
| Completeness [%] | 95.4 | |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG6000, LiCl, MES/NaOH |
