5N2N
Crystal structure of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana complexed with Mg2+ and BeF3-
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-08 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.850, 100.152, 80.139 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.470 - 2.050 |
| R-factor | 0.18378 |
| Rwork | 0.182 |
| R-free | 0.22515 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mm4 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.850 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.740 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.050 | 0.470 |
| Number of reflections | 13705 | |
| <I/σ(I)> | 20.5 | 4.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.5 | 6.8 |
| CC(1/2) | 1.000 | 0.945 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.05 | 289 | 2.54 M (NH4)2(SO4), 0.1 M MES pH 5.05, 12% glycerol |
