9Y8M
Crystal structure of the Kelch domain of human KLHL12 with compound 8i
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-12-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 79.891, 79.891, 76.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.521 - 1.334 |
| Rwork | 0.164 |
| R-free | 0.17850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.070 |
| 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] | 55.320 | 1.360 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.071 | 0.193 |
| Number of reflections | 52105 | 2758 |
| <I/σ(I)> | 22.8 | 11.4 |
| Completeness [%] | 91.4 | 100 |
| Redundancy | 12.8 | 12.9 |
| CC(1/2) | 0.998 | 0.988 |
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 |
