9Y8U
Crystal structure of the Kelch domain of human KLHL12 with compound 10j
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-21 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 80.040, 80.040, 77.203 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.600 - 1.010 |
| R-factor | 0.12603 |
| Rwork | 0.125 |
| R-free | 0.14108 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.025 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.600 | 1.030 |
| High resolution limit [Å] | 1.010 | 1.010 |
| Rmerge | 0.010 | 0.306 |
| Rmeas | 0.015 | 0.432 |
| Rpim | 0.010 | 0.306 |
| Total number of observations | 226788 | 3409 |
| Number of reflections | 120772 | 2713 |
| <I/σ(I)> | 37.6 | 1.4 |
| Completeness [%] | 92.8 | |
| Redundancy | 1.9 | 1.3 |
| CC(1/2) | 1.000 | 0.758 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M Bis-Tris pH 5.5, 0.2M MgCl2 and 25% PEG3350 |
