8OYQ
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.962, 59.201, 66.259 |
| Unit cell angles | 90.00, 97.16, 90.00 |
Refinement procedure
| Resolution | 44.031 - 1.800 |
| Rwork | 0.184 |
| R-free | 0.22590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.071 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.740 | 1.847 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.045 | 0.172 |
| Rmeas | 0.054 | 0.205 |
| Rpim | 0.029 | 0.109 |
| Number of reflections | 28452 | 2050 |
| <I/σ(I)> | 23.1 | |
| Completeness [%] | 97.3 | |
| Redundancy | 6.5 | 6.9 |
| CC(1/2) | 0.999 | 0.988 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 294.15 | PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5 |
