1I58
STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ATP ANALOG ADPCP AND MAGNESIUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.03 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.820, 48.930, 77.040 |
| Unit cell angles | 90.00, 103.54, 90.00 |
Refinement procedure
| Resolution | 19.840 - 1.600 |
| R-factor | 0.221 * |
| Rwork | 0.223 |
| R-free | 0.25900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b3q |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.045 | 0.355 |
| Number of reflections | 38000 | |
| <I/σ(I)> | 22 | 3 |
| Completeness [%] | 98.0 * | 97 |
| Redundancy | 1 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4.5 * | 25 * | PEG 8000 33-36% Ammonium acetate 0.8 M sodium acetate 0.085 M pH 4.5. VAPOR DIFFUSION, HANGING DROP at 293 K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 50-80 (mg/ml) | |
| 2 | 1 | drop | nucleotide | 10 (mM) | |
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 33-36 (%(w/v)) | |
| 5 | 1 | reservoir | ammonium acetate | 0.8 (M) | |
| 6 | 1 | reservoir | sodium acetate | 0.085 (M) |
