9LTA
Crystal Structure of Compound SKLB-D18 with MAPK7 (ERK5)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-01-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.643, 156.917, 49.727 |
| Unit cell angles | 90.00, 90.49, 90.00 |
Refinement procedure
| Resolution | 49.730 - 2.330 |
| R-factor | 0.2523 |
| Rwork | 0.249 |
| R-free | 0.29160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond angle | 16.257 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.730 | 2.460 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Number of reflections | 29547 | 4394 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 97.1 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.996 | 0.825 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M Hepes 7.5, 10% PEG4K, 7% isopropanol |
